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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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/RNAOncologyprotenix_-12f85d73/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNAOncologyprotenix_-12f85d73/inputs/seq.fa: 1
curr_seq: _GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGUGCUGGGGCGGGCGCAGGACUGCAGGCUGGGGCUCCGCUCCCCGGCGGGAGCCCGCGCGUGGUUCCCAGCGAAGUCCCCGCGCGGCUGGGCCCAGCGUGAGUAUUCUCCGCCCGCUGUCCUCCCCCUGGAGGCGGCAGCGCCCGUUUAUUUGAGCCGUGUGAAGAUGUGCCUGCUUCGCCUUCCAUCAUGACUGAAGUUUCCUGAGGCCUCCCCAGCUAUGC
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 224 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: 1125
n_atoms_counter: 1125
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 224.000000 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: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -905.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.917997 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.000
local terms energy: -871.808182
where:
bonds (distance) C4'-P energy: -217.633
bonds (distance) P-C4' energy: -201.297
flat angles C4'-P-C4' energy: -164.466
flat angles P-C4'-P energy: -188.132
tors. eta vs tors. theta energy: -100.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1133.882998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.882998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.882998 (E_RNA)
where:
Base-Base interactions energy: -489.881
where: short stacking energy: -489.881
Base-Backbone interact. energy: -0.240
local terms energy: -643.761762
where:
bonds (distance) C4'-P energy: -144.718
bonds (distance) P-C4' energy: -146.965
flat angles C4'-P-C4' energy: -141.158
flat angles P-C4'-P energy: -93.317
tors. eta vs tors. theta energy: -117.603
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1115.965790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.965790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.965790 (E_RNA)
where:
Base-Base interactions energy: -467.166
where: short stacking energy: -467.166
Base-Backbone interact. energy: -0.152
local terms energy: -648.647360
where:
bonds (distance) C4'-P energy: -145.893
bonds (distance) P-C4' energy: -148.874
flat angles C4'-P-C4' energy: -156.919
flat angles P-C4'-P energy: -86.430
tors. eta vs tors. theta energy: -110.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1013.995325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.995325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.995325 (E_RNA)
where:
Base-Base interactions energy: -422.797
where: short stacking energy: -420.390
Base-Backbone interact. energy: -0.322
local terms energy: -590.876334
where:
bonds (distance) C4'-P energy: -142.100
bonds (distance) P-C4' energy: -133.006
flat angles C4'-P-C4' energy: -130.158
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -106.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -932.707057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.707057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.707057 (E_RNA)
where:
Base-Base interactions energy: -398.081
where: short stacking energy: -395.078
Base-Backbone interact. energy: -0.456
local terms energy: -534.170090
where:
bonds (distance) C4'-P energy: -123.483
bonds (distance) P-C4' energy: -129.670
flat angles C4'-P-C4' energy: -130.227
flat angles P-C4'-P energy: -64.742
tors. eta vs tors. theta energy: -86.048
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -937.584829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.584829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.584829 (E_RNA)
where:
Base-Base interactions energy: -204.100
where: short stacking energy: -204.100
Base-Backbone interact. energy: -0.001
local terms energy: -733.483741
where:
bonds (distance) C4'-P energy: -156.468
bonds (distance) P-C4' energy: -143.542
flat angles C4'-P-C4' energy: -162.750
flat angles P-C4'-P energy: -156.573
tors. eta vs tors. theta energy: -114.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -908.852386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.852386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.852386 (E_RNA)
where:
Base-Base interactions energy: -39.797
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.000
local terms energy: -869.055669
where:
bonds (distance) C4'-P energy: -217.286
bonds (distance) P-C4' energy: -199.261
flat angles C4'-P-C4' energy: -164.104
flat angles P-C4'-P energy: -187.879
tors. eta vs tors. theta energy: -100.526
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -916.509561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.509561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.509561 (E_RNA)
where:
Base-Base interactions energy: -106.230
where: short stacking energy: -106.230
Base-Backbone interact. energy: -0.000
local terms energy: -810.279648
where:
bonds (distance) C4'-P energy: -191.950
bonds (distance) P-C4' energy: -167.978
flat angles C4'-P-C4' energy: -166.366
flat angles P-C4'-P energy: -176.102
tors. eta vs tors. theta energy: -107.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -913.414988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.414988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.414988 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -150.040
Base-Backbone interact. energy: -0.000
local terms energy: -763.375082
where:
bonds (distance) C4'-P energy: -168.456
bonds (distance) P-C4' energy: -150.489
flat angles C4'-P-C4' energy: -165.701
flat angles P-C4'-P energy: -168.603
tors. eta vs tors. theta energy: -110.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -908.816632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.816632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.816632 (E_RNA)
where:
Base-Base interactions energy: -39.852
where: short stacking energy: -39.852
Base-Backbone interact. energy: -0.000
local terms energy: -868.964391
where:
bonds (distance) C4'-P energy: -217.286
bonds (distance) P-C4' energy: -199.261
flat angles C4'-P-C4' energy: -164.060
flat angles P-C4'-P energy: -187.832
tors. eta vs tors. theta energy: -100.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -910.555819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.555819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.555819 (E_RNA)
where:
Base-Base interactions energy: -76.303
where: short stacking energy: -76.303
Base-Backbone interact. energy: -0.000
local terms energy: -834.252124
where:
bonds (distance) C4'-P energy: -203.292
bonds (distance) P-C4' energy: -174.114
flat angles C4'-P-C4' energy: -168.253
flat angles P-C4'-P energy: -180.673
tors. eta vs tors. theta energy: -107.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1216.204880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.204880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.204880 (E_RNA)
where:
Base-Base interactions energy: -550.921
where: short stacking energy: -545.124
Base-Backbone interact. energy: 0.282
local terms energy: -665.565952
where:
bonds (distance) C4'-P energy: -143.597
bonds (distance) P-C4' energy: -142.126
flat angles C4'-P-C4' energy: -142.392
flat angles P-C4'-P energy: -104.418
tors. eta vs tors. theta energy: -133.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1160.678328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.678328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.678328 (E_RNA)
where:
Base-Base interactions energy: -522.308
where: short stacking energy: -516.509
Base-Backbone interact. energy: -0.052
local terms energy: -638.319117
where:
bonds (distance) C4'-P energy: -141.976
bonds (distance) P-C4' energy: -126.675
flat angles C4'-P-C4' energy: -141.697
flat angles P-C4'-P energy: -96.290
tors. eta vs tors. theta energy: -131.681
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: 3
Temperature: 1.000000
Total energy: -1037.671224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.671224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.671224 (E_RNA)
where:
Base-Base interactions energy: -450.558
where: short stacking energy: -418.375
Base-Backbone interact. energy: 0.611
local terms energy: -587.724790
where:
bonds (distance) C4'-P energy: -125.257
bonds (distance) P-C4' energy: -139.159
flat angles C4'-P-C4' energy: -141.741
flat angles P-C4'-P energy: -79.556
tors. eta vs tors. theta energy: -102.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -921.972762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.972762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.972762 (E_RNA)
where:
Base-Base interactions energy: -395.441
where: short stacking energy: -377.830
Base-Backbone interact. energy: -0.494
local terms energy: -526.037879
where:
bonds (distance) C4'-P energy: -138.663
bonds (distance) P-C4' energy: -130.126
flat angles C4'-P-C4' energy: -136.561
flat angles P-C4'-P energy: -67.667
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -901.745484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.745484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.745484 (E_RNA)
where:
Base-Base interactions energy: -440.503
where: short stacking energy: -350.955
Base-Backbone interact. energy: 4.040
local terms energy: -465.282407
where:
bonds (distance) C4'-P energy: -115.180
bonds (distance) P-C4' energy: -126.483
flat angles C4'-P-C4' energy: -111.238
flat angles P-C4'-P energy: -51.431
tors. eta vs tors. theta energy: -60.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -771.834234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.834234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.834234 (E_RNA)
where:
Base-Base interactions energy: -304.244
where: short stacking energy: -284.879
Base-Backbone interact. energy: 0.112
local terms energy: -467.701728
where:
bonds (distance) C4'-P energy: -128.391
bonds (distance) P-C4' energy: -114.452
flat angles C4'-P-C4' energy: -115.380
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -35.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -756.414713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.414713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.414713 (E_RNA)
where:
Base-Base interactions energy: -294.381
where: short stacking energy: -260.053
Base-Backbone interact. energy: -1.103
local terms energy: -460.930972
where:
bonds (distance) C4'-P energy: -127.725
bonds (distance) P-C4' energy: -137.194
flat angles C4'-P-C4' energy: -103.781
flat angles P-C4'-P energy: -60.155
tors. eta vs tors. theta energy: -32.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -718.515470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.515470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.515470 (E_RNA)
where:
Base-Base interactions energy: -285.392
where: short stacking energy: -251.705
Base-Backbone interact. energy: 2.438
local terms energy: -435.561899
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -125.066
flat angles C4'-P-C4' energy: -114.450
flat angles P-C4'-P energy: -58.318
tors. eta vs tors. theta energy: -29.945
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -601.078070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.078070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.078070 (E_RNA)
where:
Base-Base interactions energy: -227.536
where: short stacking energy: -190.603
Base-Backbone interact. energy: 1.185
local terms energy: -374.726731
where:
bonds (distance) C4'-P energy: -91.912
bonds (distance) P-C4' energy: -137.457
flat angles C4'-P-C4' energy: -95.549
flat angles P-C4'-P energy: -47.399
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -571.718754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.718754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.718754 (E_RNA)
where:
Base-Base interactions energy: -205.610
where: short stacking energy: -188.832
Base-Backbone interact. energy: 0.945
local terms energy: -367.053275
where:
bonds (distance) C4'-P energy: -115.801
bonds (distance) P-C4' energy: -125.477
flat angles C4'-P-C4' energy: -80.324
flat angles P-C4'-P energy: -57.617
tors. eta vs tors. theta energy: 12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1258.766928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.766928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.766928 (E_RNA)
where:
Base-Base interactions energy: -596.916
where: short stacking energy: -547.558
Base-Backbone interact. energy: -0.346
local terms energy: -661.505072
where:
bonds (distance) C4'-P energy: -149.957
bonds (distance) P-C4' energy: -143.515
flat angles C4'-P-C4' energy: -145.398
flat angles P-C4'-P energy: -89.819
tors. eta vs tors. theta energy: -132.815
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: 4
Temperature: 0.950000
Total energy: -1168.180371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.180371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.180371 (E_RNA)
where:
Base-Base interactions energy: -555.474
where: short stacking energy: -515.438
Base-Backbone interact. energy: -0.587
local terms energy: -612.119351
where:
bonds (distance) C4'-P energy: -130.316
bonds (distance) P-C4' energy: -125.781
flat angles C4'-P-C4' energy: -141.104
flat angles P-C4'-P energy: -95.132
tors. eta vs tors. theta energy: -119.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1048.089718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.089718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.089718 (E_RNA)
where:
Base-Base interactions energy: -460.879
where: short stacking energy: -436.858
Base-Backbone interact. energy: -1.761
local terms energy: -585.449343
where:
bonds (distance) C4'-P energy: -131.904
bonds (distance) P-C4' energy: -128.277
flat angles C4'-P-C4' energy: -130.339
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -107.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -1015.730080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.730080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.730080 (E_RNA)
where:
Base-Base interactions energy: -465.314
where: short stacking energy: -421.895
Base-Backbone interact. energy: 2.758
local terms energy: -553.174880
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -115.889
flat angles C4'-P-C4' energy: -134.306
flat angles P-C4'-P energy: -83.897
tors. eta vs tors. theta energy: -89.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1059.244532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.244532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.244532 (E_RNA)
where:
Base-Base interactions energy: -542.913
where: short stacking energy: -396.507
Base-Backbone interact. energy: 0.368
local terms energy: -516.699399
where:
bonds (distance) C4'-P energy: -115.535
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -132.163
flat angles P-C4'-P energy: -73.304
tors. eta vs tors. theta energy: -67.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -796.268028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.268028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.268028 (E_RNA)
where:
Base-Base interactions energy: -337.788
where: short stacking energy: -277.760
Base-Backbone interact. energy: -4.549
local terms energy: -453.931646
where:
bonds (distance) C4'-P energy: -122.056
bonds (distance) P-C4' energy: -109.859
flat angles C4'-P-C4' energy: -119.966
flat angles P-C4'-P energy: -67.907
tors. eta vs tors. theta energy: -34.142
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -788.272022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.272022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.272022 (E_RNA)
where:
Base-Base interactions energy: -356.520
where: short stacking energy: -288.750
Base-Backbone interact. energy: 3.632
local terms energy: -435.383998
where:
bonds (distance) C4'-P energy: -119.436
bonds (distance) P-C4' energy: -119.687
flat angles C4'-P-C4' energy: -117.863
flat angles P-C4'-P energy: -51.364
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -700.185333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.185333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.185333 (E_RNA)
where:
Base-Base interactions energy: -289.705
where: short stacking energy: -259.894
Base-Backbone interact. energy: 0.368
local terms energy: -410.847529
where:
bonds (distance) C4'-P energy: -101.180
bonds (distance) P-C4' energy: -110.699
flat angles C4'-P-C4' energy: -111.833
flat angles P-C4'-P energy: -54.630
tors. eta vs tors. theta energy: -32.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -620.317355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.317355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.317355 (E_RNA)
where:
Base-Base interactions energy: -278.242
where: short stacking energy: -259.453
Base-Backbone interact. energy: 1.408
local terms energy: -343.483814
where:
bonds (distance) C4'-P energy: -114.952
bonds (distance) P-C4' energy: -96.994
flat angles C4'-P-C4' energy: -73.675
flat angles P-C4'-P energy: -64.219
tors. eta vs tors. theta energy: 6.356
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -580.408338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.408338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.408338 (E_RNA)
where:
Base-Base interactions energy: -197.235
where: short stacking energy: -189.325
Base-Backbone interact. energy: -1.330
local terms energy: -381.842855
where:
bonds (distance) C4'-P energy: -110.263
bonds (distance) P-C4' energy: -118.092
flat angles C4'-P-C4' energy: -99.746
flat angles P-C4'-P energy: -66.337
tors. eta vs tors. theta energy: 12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1253.733669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.733669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.733669 (E_RNA)
where:
Base-Base interactions energy: -612.462
where: short stacking energy: -545.564
Base-Backbone interact. energy: -0.243
local terms energy: -641.028471
where:
bonds (distance) C4'-P energy: -140.213
bonds (distance) P-C4' energy: -137.206
flat angles C4'-P-C4' energy: -140.609
flat angles P-C4'-P energy: -96.522
tors. eta vs tors. theta energy: -126.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1214.632712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.632712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.632712 (E_RNA)
where:
Base-Base interactions energy: -565.909
where: short stacking energy: -500.817
Base-Backbone interact. energy: 0.690
local terms energy: -649.413368
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -142.711
flat angles C4'-P-C4' energy: -146.758
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -125.301
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1081.860804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.860804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.860804 (E_RNA)
where:
Base-Base interactions energy: -481.155
where: short stacking energy: -396.628
Base-Backbone interact. energy: -1.739
local terms energy: -598.966963
where:
bonds (distance) C4'-P energy: -147.020
bonds (distance) P-C4' energy: -144.150
flat angles C4'-P-C4' energy: -136.046
flat angles P-C4'-P energy: -94.330
tors. eta vs tors. theta energy: -77.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1082.849598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.849598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.849598 (E_RNA)
where:
Base-Base interactions energy: -508.365
where: short stacking energy: -430.550
Base-Backbone interact. energy: -0.373
local terms energy: -574.111576
where:
bonds (distance) C4'-P energy: -129.284
bonds (distance) P-C4' energy: -122.791
flat angles C4'-P-C4' energy: -137.027
flat angles P-C4'-P energy: -83.660
tors. eta vs tors. theta energy: -101.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1049.895095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.895095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.895095 (E_RNA)
where:
Base-Base interactions energy: -523.899
where: short stacking energy: -348.899
Base-Backbone interact. energy: 2.080
local terms energy: -528.075850
where:
bonds (distance) C4'-P energy: -128.327
bonds (distance) P-C4' energy: -124.290
flat angles C4'-P-C4' energy: -131.356
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -68.544
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -926.960119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.960119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.960119 (E_RNA)
where:
Base-Base interactions energy: -414.254
where: short stacking energy: -325.723
Base-Backbone interact. energy: -2.199
local terms energy: -510.507489
where:
bonds (distance) C4'-P energy: -131.120
bonds (distance) P-C4' energy: -141.674
flat angles C4'-P-C4' energy: -123.657
flat angles P-C4'-P energy: -66.622
tors. eta vs tors. theta energy: -47.435
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: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -856.912619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.912619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.912619 (E_RNA)
where:
Base-Base interactions energy: -386.531
where: short stacking energy: -305.211
Base-Backbone interact. energy: 2.235
local terms energy: -472.616600
where:
bonds (distance) C4'-P energy: -110.324
bonds (distance) P-C4' energy: -123.568
flat angles C4'-P-C4' energy: -122.192
flat angles P-C4'-P energy: -72.752
tors. eta vs tors. theta energy: -43.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -784.542264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.542264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.542264 (E_RNA)
where:
Base-Base interactions energy: -372.978
where: short stacking energy: -239.008
Base-Backbone interact. energy: -0.446
local terms energy: -411.118344
where:
bonds (distance) C4'-P energy: -103.264
bonds (distance) P-C4' energy: -112.339
flat angles C4'-P-C4' energy: -104.489
flat angles P-C4'-P energy: -75.090
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -680.559665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.559665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.559665 (E_RNA)
where:
Base-Base interactions energy: -331.810
where: short stacking energy: -226.345
Base-Backbone interact. energy: 4.246
local terms energy: -352.995729
where:
bonds (distance) C4'-P energy: -105.552
bonds (distance) P-C4' energy: -95.144
flat angles C4'-P-C4' energy: -100.960
flat angles P-C4'-P energy: -62.325
tors. eta vs tors. theta energy: 10.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -552.485858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.485858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.485858 (E_RNA)
where:
Base-Base interactions energy: -212.672
where: short stacking energy: -181.464
Base-Backbone interact. energy: -0.041
local terms energy: -339.772849
where:
bonds (distance) C4'-P energy: -114.731
bonds (distance) P-C4' energy: -110.967
flat angles C4'-P-C4' energy: -78.095
flat angles P-C4'-P energy: -52.557
tors. eta vs tors. theta energy: 16.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1268.646725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.646725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.646725 (E_RNA)
where:
Base-Base interactions energy: -573.670
where: short stacking energy: -549.725
Base-Backbone interact. energy: -0.267
local terms energy: -694.710462
where:
bonds (distance) C4'-P energy: -146.139
bonds (distance) P-C4' energy: -138.895
flat angles C4'-P-C4' energy: -162.688
flat angles P-C4'-P energy: -100.686
tors. eta vs tors. theta energy: -146.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1265.127477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.127477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.127477 (E_RNA)
where:
Base-Base interactions energy: -643.850
where: short stacking energy: -534.921
Base-Backbone interact. energy: -1.357
local terms energy: -619.920012
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -145.314
flat angles C4'-P-C4' energy: -139.901
flat angles P-C4'-P energy: -79.641
tors. eta vs tors. theta energy: -113.964
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: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1057.613236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.613236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.613236 (E_RNA)
where:
Base-Base interactions energy: -498.835
where: short stacking energy: -453.194
Base-Backbone interact. energy: -2.275
local terms energy: -556.503923
where:
bonds (distance) C4'-P energy: -112.798
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -138.593
flat angles P-C4'-P energy: -76.861
tors. eta vs tors. theta energy: -92.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1075.361501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.361501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.361501 (E_RNA)
where:
Base-Base interactions energy: -571.645
where: short stacking energy: -374.785
Base-Backbone interact. energy: -2.283
local terms energy: -501.433560
where:
bonds (distance) C4'-P energy: -105.661
bonds (distance) P-C4' energy: -126.924
flat angles C4'-P-C4' energy: -140.391
flat angles P-C4'-P energy: -80.339
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1093.583003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.583003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.583003 (E_RNA)
where:
Base-Base interactions energy: -543.334
where: short stacking energy: -366.806
Base-Backbone interact. energy: -1.255
local terms energy: -548.994108
where:
bonds (distance) C4'-P energy: -143.715
bonds (distance) P-C4' energy: -131.318
flat angles C4'-P-C4' energy: -132.469
flat angles P-C4'-P energy: -69.088
tors. eta vs tors. theta energy: -72.404
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: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -873.800409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.800409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.800409 (E_RNA)
where:
Base-Base interactions energy: -370.155
where: short stacking energy: -283.583
Base-Backbone interact. energy: -0.572
local terms energy: -503.073190
where:
bonds (distance) C4'-P energy: -117.266
bonds (distance) P-C4' energy: -130.143
flat angles C4'-P-C4' energy: -134.506
flat angles P-C4'-P energy: -89.840
tors. eta vs tors. theta energy: -31.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -851.018586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.018586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.018586 (E_RNA)
where:
Base-Base interactions energy: -441.860
where: short stacking energy: -301.420
Base-Backbone interact. energy: 1.915
local terms energy: -411.073623
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -122.053
flat angles C4'-P-C4' energy: -91.739
flat angles P-C4'-P energy: -64.793
tors. eta vs tors. theta energy: -26.530
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -928.366926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.366926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.366926 (E_RNA)
where:
Base-Base interactions energy: -499.243
where: short stacking energy: -273.428
Base-Backbone interact. energy: -1.666
local terms energy: -427.457437
where:
bonds (distance) C4'-P energy: -106.447
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -118.798
flat angles P-C4'-P energy: -49.971
tors. eta vs tors. theta energy: -19.599
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: 9, replica: 6
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -719.123199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.123199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.123199 (E_RNA)
where:
Base-Base interactions energy: -340.427
where: short stacking energy: -213.830
Base-Backbone interact. energy: -2.701
local terms energy: -375.995247
where:
bonds (distance) C4'-P energy: -94.180
bonds (distance) P-C4' energy: -123.639
flat angles C4'-P-C4' energy: -101.640
flat angles P-C4'-P energy: -45.471
tors. eta vs tors. theta energy: -11.064
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: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -583.027844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.027844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.027844 (E_RNA)
where:
Base-Base interactions energy: -228.863
where: short stacking energy: -182.324
Base-Backbone interact. energy: -1.105
local terms energy: -353.060105
where:
bonds (distance) C4'-P energy: -101.165
bonds (distance) P-C4' energy: -138.172
flat angles C4'-P-C4' energy: -87.352
flat angles P-C4'-P energy: -50.270
tors. eta vs tors. theta energy: 23.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1321.968178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.968178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.968178 (E_RNA)
where:
Base-Base interactions energy: -640.716
where: short stacking energy: -557.861
Base-Backbone interact. energy: -3.156
local terms energy: -678.096214
where:
bonds (distance) C4'-P energy: -146.715
bonds (distance) P-C4' energy: -143.624
flat angles C4'-P-C4' energy: -155.440
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -138.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1253.457686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.457686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.457686 (E_RNA)
where:
Base-Base interactions energy: -624.806
where: short stacking energy: -499.121
Base-Backbone interact. energy: -1.624
local terms energy: -627.027562
where:
bonds (distance) C4'-P energy: -120.513
bonds (distance) P-C4' energy: -152.506
flat angles C4'-P-C4' energy: -150.531
flat angles P-C4'-P energy: -79.229
tors. eta vs tors. theta energy: -124.249
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1151.888140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.888140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.888140 (E_RNA)
where:
Base-Base interactions energy: -580.469
where: short stacking energy: -430.669
Base-Backbone interact. energy: -2.926
local terms energy: -568.494100
where:
bonds (distance) C4'-P energy: -129.923
bonds (distance) P-C4' energy: -140.033
flat angles C4'-P-C4' energy: -131.985
flat angles P-C4'-P energy: -87.112
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1330.795627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.795627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.795627 (E_RNA)
where:
Base-Base interactions energy: -767.300
where: short stacking energy: -477.967
Base-Backbone interact. energy: -0.577
local terms energy: -562.918750
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -142.193
flat angles C4'-P-C4' energy: -140.401
flat angles P-C4'-P energy: -63.795
tors. eta vs tors. theta energy: -94.399
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: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1080.290746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.290746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.290746 (E_RNA)
where:
Base-Base interactions energy: -575.885
where: short stacking energy: -397.778
Base-Backbone interact. energy: -0.548
local terms energy: -503.857591
where:
bonds (distance) C4'-P energy: -112.406
bonds (distance) P-C4' energy: -123.368
flat angles C4'-P-C4' energy: -120.928
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -78.126
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: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -946.272597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.272597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.272597 (E_RNA)
where:
Base-Base interactions energy: -442.302
where: short stacking energy: -326.531
Base-Backbone interact. energy: 2.849
local terms energy: -506.819427
where:
bonds (distance) C4'-P energy: -130.140
bonds (distance) P-C4' energy: -139.476
flat angles C4'-P-C4' energy: -119.899
flat angles P-C4'-P energy: -68.870
tors. eta vs tors. theta energy: -48.435
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: 7
Temperature: 1.200000
Total energy: -800.690448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.690448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.690448 (E_RNA)
where:
Base-Base interactions energy: -346.273
where: short stacking energy: -260.908
Base-Backbone interact. energy: -0.209
local terms energy: -454.208462
where:
bonds (distance) C4'-P energy: -136.865
bonds (distance) P-C4' energy: -114.229
flat angles C4'-P-C4' energy: -111.569
flat angles P-C4'-P energy: -71.827
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1024.212316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.212316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.212316 (E_RNA)
where:
Base-Base interactions energy: -605.285
where: short stacking energy: -319.982
Base-Backbone interact. energy: 3.247
local terms energy: -422.174197
where:
bonds (distance) C4'-P energy: -94.743
bonds (distance) P-C4' energy: -101.322
flat angles C4'-P-C4' energy: -125.087
flat angles P-C4'-P energy: -53.321
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -691.869151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.869151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.869151 (E_RNA)
where:
Base-Base interactions energy: -317.150
where: short stacking energy: -178.632
Base-Backbone interact. energy: -2.000
local terms energy: -372.718859
where:
bonds (distance) C4'-P energy: -110.210
bonds (distance) P-C4' energy: -124.055
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -59.873
tors. eta vs tors. theta energy: 21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -586.334239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.334239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.334239 (E_RNA)
where:
Base-Base interactions energy: -244.518
where: short stacking energy: -170.973
Base-Backbone interact. energy: -0.347
local terms energy: -341.468788
where:
bonds (distance) C4'-P energy: -108.821
bonds (distance) P-C4' energy: -119.235
flat angles C4'-P-C4' energy: -79.338
flat angles P-C4'-P energy: -56.173
tors. eta vs tors. theta energy: 22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1324.566783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.566783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.566783 (E_RNA)
where:
Base-Base interactions energy: -661.915
where: short stacking energy: -569.136
Base-Backbone interact. energy: -0.127
local terms energy: -662.524841
where:
bonds (distance) C4'-P energy: -120.011
bonds (distance) P-C4' energy: -153.581
flat angles C4'-P-C4' energy: -156.731
flat angles P-C4'-P energy: -100.985
tors. eta vs tors. theta energy: -131.217
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: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1305.694311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.694311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.694311 (E_RNA)
where:
Base-Base interactions energy: -666.503
where: short stacking energy: -526.485
Base-Backbone interact. energy: -1.012
local terms energy: -638.179666
where:
bonds (distance) C4'-P energy: -139.666
bonds (distance) P-C4' energy: -135.791
flat angles C4'-P-C4' energy: -145.450
flat angles P-C4'-P energy: -89.073
tors. eta vs tors. theta energy: -128.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1421.006597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.006597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.006597 (E_RNA)
where:
Base-Base interactions energy: -809.397
where: short stacking energy: -513.366
Base-Backbone interact. energy: -0.608
local terms energy: -611.001468
where:
bonds (distance) C4'-P energy: -135.241
bonds (distance) P-C4' energy: -129.921
flat angles C4'-P-C4' energy: -135.166
flat angles P-C4'-P energy: -92.288
tors. eta vs tors. theta energy: -118.385
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: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1089.147340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.147340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.147340 (E_RNA)
where:
Base-Base interactions energy: -549.775
where: short stacking energy: -379.568
Base-Backbone interact. energy: -1.982
local terms energy: -537.390896
where:
bonds (distance) C4'-P energy: -120.560
bonds (distance) P-C4' energy: -132.891
flat angles C4'-P-C4' energy: -127.702
flat angles P-C4'-P energy: -80.156
tors. eta vs tors. theta energy: -76.083
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: 8
Temperature: 1.100000
Total energy: -1154.815078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.815078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.815078 (E_RNA)
where:
Base-Base interactions energy: -624.022
where: short stacking energy: -415.720
Base-Backbone interact. energy: 0.020
local terms energy: -530.813789
where:
bonds (distance) C4'-P energy: -116.276
bonds (distance) P-C4' energy: -130.873
flat angles C4'-P-C4' energy: -121.292
flat angles P-C4'-P energy: -74.908
tors. eta vs tors. theta energy: -87.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -982.499236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.499236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.499236 (E_RNA)
where:
Base-Base interactions energy: -488.211
where: short stacking energy: -330.294
Base-Backbone interact. energy: -1.342
local terms energy: -492.945921
where:
bonds (distance) C4'-P energy: -133.748
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -111.005
flat angles P-C4'-P energy: -69.205
tors. eta vs tors. theta energy: -53.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1134.729275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.729275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.729275 (E_RNA)
where:
Base-Base interactions energy: -655.801
where: short stacking energy: -360.742
Base-Backbone interact. energy: -2.421
local terms energy: -476.507180
where:
bonds (distance) C4'-P energy: -113.059
bonds (distance) P-C4' energy: -115.157
flat angles C4'-P-C4' energy: -114.334
flat angles P-C4'-P energy: -83.004
tors. eta vs tors. theta energy: -50.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -786.174651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.174651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.174651 (E_RNA)
where:
Base-Base interactions energy: -346.589
where: short stacking energy: -259.037
Base-Backbone interact. energy: 4.780
local terms energy: -444.365139
where:
bonds (distance) C4'-P energy: -117.843
bonds (distance) P-C4' energy: -118.621
flat angles C4'-P-C4' energy: -122.545
flat angles P-C4'-P energy: -78.680
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -638.518812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.518812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.518812 (E_RNA)
where:
Base-Base interactions energy: -289.649
where: short stacking energy: -210.161
Base-Backbone interact. energy: -3.298
local terms energy: -345.572519
where:
bonds (distance) C4'-P energy: -107.203
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -86.747
flat angles P-C4'-P energy: -64.742
tors. eta vs tors. theta energy: 15.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -590.310570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.310570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.310570 (E_RNA)
where:
Base-Base interactions energy: -232.345
where: short stacking energy: -180.605
Base-Backbone interact. energy: 6.823
local terms energy: -364.788517
where:
bonds (distance) C4'-P energy: -129.778
bonds (distance) P-C4' energy: -115.212
flat angles C4'-P-C4' energy: -86.597
flat angles P-C4'-P energy: -55.083
tors. eta vs tors. theta energy: 21.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1347.805452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.805452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.805452 (E_RNA)
where:
Base-Base interactions energy: -692.793
where: short stacking energy: -538.742
Base-Backbone interact. energy: 0.997
local terms energy: -656.008684
where:
bonds (distance) C4'-P energy: -133.513
bonds (distance) P-C4' energy: -146.388
flat angles C4'-P-C4' energy: -152.099
flat angles P-C4'-P energy: -97.247
tors. eta vs tors. theta energy: -126.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1608.738197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.738197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.738197 (E_RNA)
where:
Base-Base interactions energy: -959.751
where: short stacking energy: -565.438
Base-Backbone interact. energy: -2.052
local terms energy: -646.934931
where:
bonds (distance) C4'-P energy: -125.458
bonds (distance) P-C4' energy: -138.226
flat angles C4'-P-C4' energy: -143.064
flat angles P-C4'-P energy: -96.574
tors. eta vs tors. theta energy: -143.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1288.041629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.041629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.041629 (E_RNA)
where:
Base-Base interactions energy: -697.423
where: short stacking energy: -455.768
Base-Backbone interact. energy: -2.872
local terms energy: -587.746675
where:
bonds (distance) C4'-P energy: -123.670
bonds (distance) P-C4' energy: -145.356
flat angles C4'-P-C4' energy: -131.808
flat angles P-C4'-P energy: -80.268
tors. eta vs tors. theta energy: -106.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1333.379301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.379301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.379301 (E_RNA)
where:
Base-Base interactions energy: -767.973
where: short stacking energy: -483.849
Base-Backbone interact. energy: -1.921
local terms energy: -563.485452
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -139.525
flat angles C4'-P-C4' energy: -130.763
flat angles P-C4'-P energy: -75.624
tors. eta vs tors. theta energy: -112.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1014.236918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.236918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.236918 (E_RNA)
where:
Base-Base interactions energy: -494.867
where: short stacking energy: -338.871
Base-Backbone interact. energy: -0.616
local terms energy: -518.753522
where:
bonds (distance) C4'-P energy: -122.347
bonds (distance) P-C4' energy: -115.386
flat angles C4'-P-C4' energy: -136.956
flat angles P-C4'-P energy: -86.918
tors. eta vs tors. theta energy: -57.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1317.921583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.921583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.921583 (E_RNA)
where:
Base-Base interactions energy: -813.919
where: short stacking energy: -375.829
Base-Backbone interact. energy: -0.913
local terms energy: -503.089654
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -127.442
flat angles C4'-P-C4' energy: -124.349
flat angles P-C4'-P energy: -70.016
tors. eta vs tors. theta energy: -65.067
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: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -944.528558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.528558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.528558 (E_RNA)
where:
Base-Base interactions energy: -482.041
where: short stacking energy: -314.251
Base-Backbone interact. energy: 0.614
local terms energy: -463.101561
where:
bonds (distance) C4'-P energy: -110.433
bonds (distance) P-C4' energy: -132.338
flat angles C4'-P-C4' energy: -117.489
flat angles P-C4'-P energy: -64.225
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -724.679385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.679385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.679385 (E_RNA)
where:
Base-Base interactions energy: -332.591
where: short stacking energy: -217.650
Base-Backbone interact. energy: 3.349
local terms energy: -395.436761
where:
bonds (distance) C4'-P energy: -104.275
bonds (distance) P-C4' energy: -126.819
flat angles C4'-P-C4' energy: -99.661
flat angles P-C4'-P energy: -57.121
tors. eta vs tors. theta energy: -7.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -659.495733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.495733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.495733 (E_RNA)
where:
Base-Base interactions energy: -301.388
where: short stacking energy: -215.652
Base-Backbone interact. energy: -0.923
local terms energy: -357.184066
where:
bonds (distance) C4'-P energy: -109.236
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -97.064
flat angles P-C4'-P energy: -52.715
tors. eta vs tors. theta energy: -6.616
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -588.119596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.119596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.119596 (E_RNA)
where:
Base-Base interactions energy: -229.709
where: short stacking energy: -167.552
Base-Backbone interact. energy: 3.295
local terms energy: -361.705127
where:
bonds (distance) C4'-P energy: -106.079
bonds (distance) P-C4' energy: -119.824
flat angles C4'-P-C4' energy: -103.516
flat angles P-C4'-P energy: -56.963
tors. eta vs tors. theta energy: 24.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1712.400056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.400056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.400056 (E_RNA)
where:
Base-Base interactions energy: -1041.377
where: short stacking energy: -603.781
Base-Backbone interact. energy: -2.818
local terms energy: -668.204549
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -131.974
flat angles C4'-P-C4' energy: -152.869
flat angles P-C4'-P energy: -95.653
tors. eta vs tors. theta energy: -157.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1330.470141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.470141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.470141 (E_RNA)
where:
Base-Base interactions energy: -722.537
where: short stacking energy: -501.639
Base-Backbone interact. energy: -3.062
local terms energy: -604.871631
where:
bonds (distance) C4'-P energy: -130.976
bonds (distance) P-C4' energy: -142.204
flat angles C4'-P-C4' energy: -130.170
flat angles P-C4'-P energy: -83.391
tors. eta vs tors. theta energy: -118.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1419.186497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.186497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.186497 (E_RNA)
where:
Base-Base interactions energy: -830.380
where: short stacking energy: -469.424
Base-Backbone interact. energy: 2.791
local terms energy: -591.596861
where:
bonds (distance) C4'-P energy: -141.406
bonds (distance) P-C4' energy: -114.183
flat angles C4'-P-C4' energy: -157.516
flat angles P-C4'-P energy: -69.706
tors. eta vs tors. theta energy: -108.786
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: 2
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1236.992536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.992536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.992536 (E_RNA)
where:
Base-Base interactions energy: -693.191
where: short stacking energy: -430.619
Base-Backbone interact. energy: -1.664
local terms energy: -542.137308
where:
bonds (distance) C4'-P energy: -118.596
bonds (distance) P-C4' energy: -141.870
flat angles C4'-P-C4' energy: -124.457
flat angles P-C4'-P energy: -70.575
tors. eta vs tors. theta energy: -86.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1460.940653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.940653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.940653 (E_RNA)
where:
Base-Base interactions energy: -899.752
where: short stacking energy: -453.316
Base-Backbone interact. energy: -0.178
local terms energy: -561.011213
where:
bonds (distance) C4'-P energy: -119.232
bonds (distance) P-C4' energy: -110.889
flat angles C4'-P-C4' energy: -134.567
flat angles P-C4'-P energy: -95.649
tors. eta vs tors. theta energy: -100.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -986.230171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.230171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.230171 (E_RNA)
where:
Base-Base interactions energy: -529.711
where: short stacking energy: -285.413
Base-Backbone interact. energy: -1.840
local terms energy: -454.679268
where:
bonds (distance) C4'-P energy: -122.738
bonds (distance) P-C4' energy: -126.656
flat angles C4'-P-C4' energy: -107.380
flat angles P-C4'-P energy: -60.920
tors. eta vs tors. theta energy: -36.985
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: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -967.102045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.102045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.102045 (E_RNA)
where:
Base-Base interactions energy: -491.229
where: short stacking energy: -311.415
Base-Backbone interact. energy: 4.483
local terms energy: -480.355239
where:
bonds (distance) C4'-P energy: -119.423
bonds (distance) P-C4' energy: -123.946
flat angles C4'-P-C4' energy: -113.352
flat angles P-C4'-P energy: -67.232
tors. eta vs tors. theta energy: -56.402
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: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -746.326299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.326299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.326299 (E_RNA)
where:
Base-Base interactions energy: -311.265
where: short stacking energy: -246.815
Base-Backbone interact. energy: -1.913
local terms energy: -433.147993
where:
bonds (distance) C4'-P energy: -115.666
bonds (distance) P-C4' energy: -123.784
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -81.698
tors. eta vs tors. theta energy: -8.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -631.513528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.513528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.513528 (E_RNA)
where:
Base-Base interactions energy: -261.782
where: short stacking energy: -206.049
Base-Backbone interact. energy: -0.183
local terms energy: -369.549208
where:
bonds (distance) C4'-P energy: -111.172
bonds (distance) P-C4' energy: -112.052
flat angles C4'-P-C4' energy: -99.904
flat angles P-C4'-P energy: -48.464
tors. eta vs tors. theta energy: 2.043
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: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -596.431817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.431817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.431817 (E_RNA)
where:
Base-Base interactions energy: -258.590
where: short stacking energy: -177.316
Base-Backbone interact. energy: 3.292
local terms energy: -341.133322
where:
bonds (distance) C4'-P energy: -103.738
bonds (distance) P-C4' energy: -108.984
flat angles C4'-P-C4' energy: -86.829
flat angles P-C4'-P energy: -64.831
tors. eta vs tors. theta energy: 23.248
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: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1804.198662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.198662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.198662 (E_RNA)
where:
Base-Base interactions energy: -1122.738
where: short stacking energy: -589.738
Base-Backbone interact. energy: -1.739
local terms energy: -679.721899
where:
bonds (distance) C4'-P energy: -143.668
bonds (distance) P-C4' energy: -139.344
flat angles C4'-P-C4' energy: -153.082
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -151.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1590.193887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.193887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.193887 (E_RNA)
where:
Base-Base interactions energy: -954.350
where: short stacking energy: -540.150
Base-Backbone interact. energy: -2.699
local terms energy: -633.144854
where:
bonds (distance) C4'-P energy: -135.270
bonds (distance) P-C4' energy: -141.429
flat angles C4'-P-C4' energy: -140.279
flat angles P-C4'-P energy: -90.104
tors. eta vs tors. theta energy: -126.063
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1318.315530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.315530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.315530 (E_RNA)
where:
Base-Base interactions energy: -741.187
where: short stacking energy: -454.096
Base-Backbone interact. energy: 1.829
local terms energy: -578.957803
where:
bonds (distance) C4'-P energy: -123.015
bonds (distance) P-C4' energy: -128.598
flat angles C4'-P-C4' energy: -126.280
flat angles P-C4'-P energy: -94.608
tors. eta vs tors. theta energy: -106.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1622.898338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.898338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.898338 (E_RNA)
where:
Base-Base interactions energy: -1046.283
where: short stacking energy: -499.835
Base-Backbone interact. energy: -5.125
local terms energy: -571.490093
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -143.848
flat angles C4'-P-C4' energy: -138.133
flat angles P-C4'-P energy: -72.259
tors. eta vs tors. theta energy: -101.108
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: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1206.775850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.775850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.775850 (E_RNA)
where:
Base-Base interactions energy: -661.614
where: short stacking energy: -407.172
Base-Backbone interact. energy: 0.349
local terms energy: -545.511668
where:
bonds (distance) C4'-P energy: -129.476
bonds (distance) P-C4' energy: -136.463
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -84.441
tors. eta vs tors. theta energy: -79.922
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: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1013.829260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.829260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.829260 (E_RNA)
where:
Base-Base interactions energy: -587.285
where: short stacking energy: -317.309
Base-Backbone interact. energy: -1.507
local terms energy: -425.037030
where:
bonds (distance) C4'-P energy: -105.758
bonds (distance) P-C4' energy: -120.720
flat angles C4'-P-C4' energy: -107.275
flat angles P-C4'-P energy: -67.229
tors. eta vs tors. theta energy: -24.055
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -912.812020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.812020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.812020 (E_RNA)
where:
Base-Base interactions energy: -437.511
where: short stacking energy: -271.886
Base-Backbone interact. energy: -0.393
local terms energy: -474.907998
where:
bonds (distance) C4'-P energy: -110.961
bonds (distance) P-C4' energy: -129.386
flat angles C4'-P-C4' energy: -113.379
flat angles P-C4'-P energy: -82.944
tors. eta vs tors. theta energy: -38.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -872.981993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.981993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.981993 (E_RNA)
where:
Base-Base interactions energy: -444.167
where: short stacking energy: -280.407
Base-Backbone interact. energy: -0.585
local terms energy: -428.230281
where:
bonds (distance) C4'-P energy: -109.261
bonds (distance) P-C4' energy: -137.826
flat angles C4'-P-C4' energy: -107.234
flat angles P-C4'-P energy: -58.348
tors. eta vs tors. theta energy: -15.561
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: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -681.832427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.832427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.832427 (E_RNA)
where:
Base-Base interactions energy: -304.423
where: short stacking energy: -207.895
Base-Backbone interact. energy: -3.311
local terms energy: -374.098194
where:
bonds (distance) C4'-P energy: -132.649
bonds (distance) P-C4' energy: -100.294
flat angles C4'-P-C4' energy: -90.878
flat angles P-C4'-P energy: -55.796
tors. eta vs tors. theta energy: 5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -616.907438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.907438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.907438 (E_RNA)
where:
Base-Base interactions energy: -259.123
where: short stacking energy: -180.019
Base-Backbone interact. energy: 10.836
local terms energy: -368.620831
where:
bonds (distance) C4'-P energy: -99.738
bonds (distance) P-C4' energy: -131.604
flat angles C4'-P-C4' energy: -92.522
flat angles P-C4'-P energy: -59.166
tors. eta vs tors. theta energy: 14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1829.762698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.762698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.762698 (E_RNA)
where:
Base-Base interactions energy: -1154.029
where: short stacking energy: -615.966
Base-Backbone interact. energy: -1.484
local terms energy: -674.249245
where:
bonds (distance) C4'-P energy: -147.563
bonds (distance) P-C4' energy: -134.020
flat angles C4'-P-C4' energy: -137.204
flat angles P-C4'-P energy: -94.634
tors. eta vs tors. theta energy: -160.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1713.181753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.181753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.181753 (E_RNA)
where:
Base-Base interactions energy: -1057.827
where: short stacking energy: -569.571
Base-Backbone interact. energy: -2.458
local terms energy: -652.897111
where:
bonds (distance) C4'-P energy: -140.540
bonds (distance) P-C4' energy: -133.185
flat angles C4'-P-C4' energy: -143.569
flat angles P-C4'-P energy: -97.770
tors. eta vs tors. theta energy: -137.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1731.029973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.029973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.029973 (E_RNA)
where:
Base-Base interactions energy: -1101.828
where: short stacking energy: -516.380
Base-Backbone interact. energy: -2.347
local terms energy: -626.855710
where:
bonds (distance) C4'-P energy: -138.500
bonds (distance) P-C4' energy: -133.642
flat angles C4'-P-C4' energy: -146.716
flat angles P-C4'-P energy: -86.154
tors. eta vs tors. theta energy: -121.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1300.959258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.959258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.959258 (E_RNA)
where:
Base-Base interactions energy: -744.871
where: short stacking energy: -476.537
Base-Backbone interact. energy: -1.930
local terms energy: -554.157686
where:
bonds (distance) C4'-P energy: -110.602
bonds (distance) P-C4' energy: -138.847
flat angles C4'-P-C4' energy: -134.207
flat angles P-C4'-P energy: -76.996
tors. eta vs tors. theta energy: -93.504
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: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1326.263826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.263826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.263826 (E_RNA)
where:
Base-Base interactions energy: -837.111
where: short stacking energy: -415.722
Base-Backbone interact. energy: 4.320
local terms energy: -493.473324
where:
bonds (distance) C4'-P energy: -116.988
bonds (distance) P-C4' energy: -120.443
flat angles C4'-P-C4' energy: -110.467
flat angles P-C4'-P energy: -79.723
tors. eta vs tors. theta energy: -65.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1080.928291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.928291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.928291 (E_RNA)
where:
Base-Base interactions energy: -591.436
where: short stacking energy: -316.180
Base-Backbone interact. energy: -0.505
local terms energy: -488.988149
where:
bonds (distance) C4'-P energy: -117.909
bonds (distance) P-C4' energy: -138.377
flat angles C4'-P-C4' energy: -127.840
flat angles P-C4'-P energy: -51.819
tors. eta vs tors. theta energy: -53.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -954.267908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.267908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.267908 (E_RNA)
where:
Base-Base interactions energy: -506.039
where: short stacking energy: -281.062
Base-Backbone interact. energy: 2.787
local terms energy: -451.016175
where:
bonds (distance) C4'-P energy: -123.691
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -101.536
flat angles P-C4'-P energy: -75.899
tors. eta vs tors. theta energy: -31.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -922.041292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.041292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.041292 (E_RNA)
where:
Base-Base interactions energy: -495.349
where: short stacking energy: -309.825
Base-Backbone interact. energy: -3.062
local terms energy: -423.629975
where:
bonds (distance) C4'-P energy: -113.484
bonds (distance) P-C4' energy: -126.544
flat angles C4'-P-C4' energy: -89.902
flat angles P-C4'-P energy: -64.068
tors. eta vs tors. theta energy: -29.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -647.675556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.675556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.675556 (E_RNA)
where:
Base-Base interactions energy: -277.755
where: short stacking energy: -179.357
Base-Backbone interact. energy: 1.153
local terms energy: -371.072865
where:
bonds (distance) C4'-P energy: -117.272
bonds (distance) P-C4' energy: -122.578
flat angles C4'-P-C4' energy: -82.032
flat angles P-C4'-P energy: -67.057
tors. eta vs tors. theta energy: 17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -553.275597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.275597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.275597 (E_RNA)
where:
Base-Base interactions energy: -205.794
where: short stacking energy: -164.103
Base-Backbone interact. energy: 6.979
local terms energy: -354.460755
where:
bonds (distance) C4'-P energy: -111.199
bonds (distance) P-C4' energy: -117.850
flat angles C4'-P-C4' energy: -100.297
flat angles P-C4'-P energy: -50.658
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: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1839.817259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.817259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.817259 (E_RNA)
where:
Base-Base interactions energy: -1148.712
where: short stacking energy: -653.006
Base-Backbone interact. energy: -1.441
local terms energy: -689.664390
where:
bonds (distance) C4'-P energy: -129.887
bonds (distance) P-C4' energy: -130.765
flat angles C4'-P-C4' energy: -157.656
flat angles P-C4'-P energy: -91.828
tors. eta vs tors. theta energy: -179.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1820.742291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.742291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.742291 (E_RNA)
where:
Base-Base interactions energy: -1191.596
where: short stacking energy: -552.399
Base-Backbone interact. energy: -0.248
local terms energy: -628.898944
where:
bonds (distance) C4'-P energy: -128.600
bonds (distance) P-C4' energy: -144.132
flat angles C4'-P-C4' energy: -147.947
flat angles P-C4'-P energy: -84.244
tors. eta vs tors. theta energy: -123.975
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: 13
Temperature: 1.000000
Total energy: -1682.419122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.419122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.419122 (E_RNA)
where:
Base-Base interactions energy: -1045.037
where: short stacking energy: -539.351
Base-Backbone interact. energy: -1.069
local terms energy: -636.312255
where:
bonds (distance) C4'-P energy: -113.270
bonds (distance) P-C4' energy: -150.299
flat angles C4'-P-C4' energy: -134.269
flat angles P-C4'-P energy: -101.140
tors. eta vs tors. theta energy: -137.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1460.257801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.257801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.257801 (E_RNA)
where:
Base-Base interactions energy: -892.058
where: short stacking energy: -456.201
Base-Backbone interact. energy: 7.259
local terms energy: -575.458974
where:
bonds (distance) C4'-P energy: -113.501
bonds (distance) P-C4' energy: -146.834
flat angles C4'-P-C4' energy: -128.660
flat angles P-C4'-P energy: -85.547
tors. eta vs tors. theta energy: -100.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1183.966780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.966780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.966780 (E_RNA)
where:
Base-Base interactions energy: -674.839
where: short stacking energy: -404.488
Base-Backbone interact. energy: 3.983
local terms energy: -513.110763
where:
bonds (distance) C4'-P energy: -122.862
bonds (distance) P-C4' energy: -114.380
flat angles C4'-P-C4' energy: -125.638
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -71.370
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: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1166.734819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.734819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.734819 (E_RNA)
where:
Base-Base interactions energy: -692.516
where: short stacking energy: -347.183
Base-Backbone interact. energy: -2.052
local terms energy: -472.166497
where:
bonds (distance) C4'-P energy: -111.637
bonds (distance) P-C4' energy: -116.721
flat angles C4'-P-C4' energy: -119.926
flat angles P-C4'-P energy: -77.836
tors. eta vs tors. theta energy: -46.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -964.076829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.076829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.076829 (E_RNA)
where:
Base-Base interactions energy: -492.293
where: short stacking energy: -294.652
Base-Backbone interact. energy: 2.153
local terms energy: -473.937041
where:
bonds (distance) C4'-P energy: -105.308
bonds (distance) P-C4' energy: -130.304
flat angles C4'-P-C4' energy: -125.440
flat angles P-C4'-P energy: -66.398
tors. eta vs tors. theta energy: -46.487
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: 13
Temperature: 1.250000
Total energy: -918.428406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.428406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.428406 (E_RNA)
where:
Base-Base interactions energy: -479.168
where: short stacking energy: -267.634
Base-Backbone interact. energy: 1.983
local terms energy: -441.242808
where:
bonds (distance) C4'-P energy: -121.151
bonds (distance) P-C4' energy: -116.620
flat angles C4'-P-C4' energy: -106.079
flat angles P-C4'-P energy: -77.833
tors. eta vs tors. theta energy: -19.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -681.790399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.790399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.790399 (E_RNA)
where:
Base-Base interactions energy: -306.331
where: short stacking energy: -216.042
Base-Backbone interact. energy: 1.730
local terms energy: -377.190133
where:
bonds (distance) C4'-P energy: -119.413
bonds (distance) P-C4' energy: -91.113
flat angles C4'-P-C4' energy: -103.507
flat angles P-C4'-P energy: -71.667
tors. eta vs tors. theta energy: 8.510
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: 13
Temperature: 1.350000
Total energy: -560.522988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.522988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.522988 (E_RNA)
where:
Base-Base interactions energy: -199.859
where: short stacking energy: -140.549
Base-Backbone interact. energy: 2.585
local terms energy: -363.249884
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -131.206
flat angles C4'-P-C4' energy: -93.998
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: 44.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1957.556152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.556152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.556152 (E_RNA)
where:
Base-Base interactions energy: -1318.461
where: short stacking energy: -585.264
Base-Backbone interact. energy: -4.708
local terms energy: -634.386932
where:
bonds (distance) C4'-P energy: -144.449
bonds (distance) P-C4' energy: -136.713
flat angles C4'-P-C4' energy: -133.318
flat angles P-C4'-P energy: -99.555
tors. eta vs tors. theta energy: -120.352
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: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1770.089591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.089591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.089591 (E_RNA)
where:
Base-Base interactions energy: -1102.287
where: short stacking energy: -568.722
Base-Backbone interact. energy: -1.178
local terms energy: -666.624850
where:
bonds (distance) C4'-P energy: -127.254
bonds (distance) P-C4' energy: -131.945
flat angles C4'-P-C4' energy: -148.507
flat angles P-C4'-P energy: -107.166
tors. eta vs tors. theta energy: -151.753
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: 14
Temperature: 1.000000
Total energy: -1705.191917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.191917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.191917 (E_RNA)
where:
Base-Base interactions energy: -1078.300
where: short stacking energy: -551.027
Base-Backbone interact. energy: -1.862
local terms energy: -625.029172
where:
bonds (distance) C4'-P energy: -133.490
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -144.415
flat angles P-C4'-P energy: -88.192
tors. eta vs tors. theta energy: -130.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1597.723684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.723684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.723684 (E_RNA)
where:
Base-Base interactions energy: -998.021
where: short stacking energy: -482.673
Base-Backbone interact. energy: -4.219
local terms energy: -595.483296
where:
bonds (distance) C4'-P energy: -133.718
bonds (distance) P-C4' energy: -125.651
flat angles C4'-P-C4' energy: -139.489
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -107.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1202.824536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.824536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.824536 (E_RNA)
where:
Base-Base interactions energy: -674.620
where: short stacking energy: -395.018
Base-Backbone interact. energy: -3.305
local terms energy: -524.900011
where:
bonds (distance) C4'-P energy: -130.387
bonds (distance) P-C4' energy: -105.893
flat angles C4'-P-C4' energy: -132.040
flat angles P-C4'-P energy: -86.219
tors. eta vs tors. theta energy: -70.361
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: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1211.051890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.051890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.051890 (E_RNA)
where:
Base-Base interactions energy: -728.747
where: short stacking energy: -388.450
Base-Backbone interact. energy: -0.001
local terms energy: -482.304263
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -114.519
flat angles C4'-P-C4' energy: -106.204
flat angles P-C4'-P energy: -88.637
tors. eta vs tors. theta energy: -81.860
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: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -1012.632292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.632292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.632292 (E_RNA)
where:
Base-Base interactions energy: -570.210
where: short stacking energy: -325.568
Base-Backbone interact. energy: 3.338
local terms energy: -445.760527
where:
bonds (distance) C4'-P energy: -116.722
bonds (distance) P-C4' energy: -108.548
flat angles C4'-P-C4' energy: -115.282
flat angles P-C4'-P energy: -52.910
tors. eta vs tors. theta energy: -52.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1005.244388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.244388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.244388 (E_RNA)
where:
Base-Base interactions energy: -537.096
where: short stacking energy: -290.648
Base-Backbone interact. energy: 0.335
local terms energy: -468.483195
where:
bonds (distance) C4'-P energy: -142.489
bonds (distance) P-C4' energy: -109.114
flat angles C4'-P-C4' energy: -110.405
flat angles P-C4'-P energy: -79.216
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -727.588404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.588404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.588404 (E_RNA)
where:
Base-Base interactions energy: -322.706
where: short stacking energy: -232.729
Base-Backbone interact. energy: -1.511
local terms energy: -403.371349
where:
bonds (distance) C4'-P energy: -94.271
bonds (distance) P-C4' energy: -118.259
flat angles C4'-P-C4' energy: -101.719
flat angles P-C4'-P energy: -65.034
tors. eta vs tors. theta energy: -24.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -593.536008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.536008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.536008 (E_RNA)
where:
Base-Base interactions energy: -253.582
where: short stacking energy: -161.605
Base-Backbone interact. energy: -2.100
local terms energy: -337.853982
where:
bonds (distance) C4'-P energy: -101.622
bonds (distance) P-C4' energy: -107.795
flat angles C4'-P-C4' energy: -93.793
flat angles P-C4'-P energy: -74.447
tors. eta vs tors. theta energy: 39.802
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: 9
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1981.219134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.219134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.219134 (E_RNA)
where:
Base-Base interactions energy: -1337.494
where: short stacking energy: -575.168
Base-Backbone interact. energy: -5.946
local terms energy: -637.779065
where:
bonds (distance) C4'-P energy: -139.815
bonds (distance) P-C4' energy: -129.611
flat angles C4'-P-C4' energy: -144.944
flat angles P-C4'-P energy: -98.758
tors. eta vs tors. theta energy: -124.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1820.638949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.638949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.638949 (E_RNA)
where:
Base-Base interactions energy: -1151.479
where: short stacking energy: -592.031
Base-Backbone interact. energy: -0.356
local terms energy: -668.803090
where:
bonds (distance) C4'-P energy: -131.830
bonds (distance) P-C4' energy: -150.773
flat angles C4'-P-C4' energy: -143.281
flat angles P-C4'-P energy: -97.326
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: 3, replica: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1753.837092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.837092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.837092 (E_RNA)
where:
Base-Base interactions energy: -1143.611
where: short stacking energy: -559.614
Base-Backbone interact. energy: -5.875
local terms energy: -604.351492
where:
bonds (distance) C4'-P energy: -127.938
bonds (distance) P-C4' energy: -119.469
flat angles C4'-P-C4' energy: -147.627
flat angles P-C4'-P energy: -82.678
tors. eta vs tors. theta energy: -126.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1644.556704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.556704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.556704 (E_RNA)
where:
Base-Base interactions energy: -1067.128
where: short stacking energy: -533.420
Base-Backbone interact. energy: 1.847
local terms energy: -579.276139
where:
bonds (distance) C4'-P energy: -115.828
bonds (distance) P-C4' energy: -123.636
flat angles C4'-P-C4' energy: -131.368
flat angles P-C4'-P energy: -95.364
tors. eta vs tors. theta energy: -113.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1207.455632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.455632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.455632 (E_RNA)
where:
Base-Base interactions energy: -696.960
where: short stacking energy: -409.315
Base-Backbone interact. energy: -0.328
local terms energy: -510.167891
where:
bonds (distance) C4'-P energy: -91.915
bonds (distance) P-C4' energy: -129.908
flat angles C4'-P-C4' energy: -138.041
flat angles P-C4'-P energy: -77.490
tors. eta vs tors. theta energy: -72.814
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: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1250.223553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.223553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.223553 (E_RNA)
where:
Base-Base interactions energy: -747.447
where: short stacking energy: -385.202
Base-Backbone interact. energy: -2.311
local terms energy: -500.465278
where:
bonds (distance) C4'-P energy: -119.755
bonds (distance) P-C4' energy: -133.125
flat angles C4'-P-C4' energy: -129.744
flat angles P-C4'-P energy: -72.372
tors. eta vs tors. theta energy: -45.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1026.430562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.430562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.430562 (E_RNA)
where:
Base-Base interactions energy: -587.850
where: short stacking energy: -324.551
Base-Backbone interact. energy: 0.436
local terms energy: -439.015867
where:
bonds (distance) C4'-P energy: -114.251
bonds (distance) P-C4' energy: -109.747
flat angles C4'-P-C4' energy: -108.554
flat angles P-C4'-P energy: -53.621
tors. eta vs tors. theta energy: -52.842
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: 15
Temperature: 1.250000
Total energy: -1024.580835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.580835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.580835 (E_RNA)
where:
Base-Base interactions energy: -610.622
where: short stacking energy: -346.332
Base-Backbone interact. energy: 2.604
local terms energy: -416.562903
where:
bonds (distance) C4'-P energy: -110.421
bonds (distance) P-C4' energy: -103.452
flat angles C4'-P-C4' energy: -96.183
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -39.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -774.005526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.005526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.005526 (E_RNA)
where:
Base-Base interactions energy: -350.762
where: short stacking energy: -232.678
Base-Backbone interact. energy: 3.682
local terms energy: -426.925259
where:
bonds (distance) C4'-P energy: -115.941
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -113.760
flat angles P-C4'-P energy: -59.968
tors. eta vs tors. theta energy: -17.798
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: 15
Temperature: 1.350000
Total energy: -642.039661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.039661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.039661 (E_RNA)
where:
Base-Base interactions energy: -285.817
where: short stacking energy: -163.720
Base-Backbone interact. energy: 0.749
local terms energy: -356.970947
where:
bonds (distance) C4'-P energy: -111.448
bonds (distance) P-C4' energy: -118.757
flat angles C4'-P-C4' energy: -92.180
flat angles P-C4'-P energy: -55.969
tors. eta vs tors. theta energy: 21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -2066.303444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.303444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.303444 (E_RNA)
where:
Base-Base interactions energy: -1421.151
where: short stacking energy: -594.257
Base-Backbone interact. energy: -1.991
local terms energy: -643.161428
where:
bonds (distance) C4'-P energy: -129.805
bonds (distance) P-C4' energy: -137.490
flat angles C4'-P-C4' energy: -150.795
flat angles P-C4'-P energy: -93.461
tors. eta vs tors. theta energy: -131.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1822.677055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.677055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.677055 (E_RNA)
where:
Base-Base interactions energy: -1164.810
where: short stacking energy: -609.518
Base-Backbone interact. energy: 0.222
local terms energy: -658.089557
where:
bonds (distance) C4'-P energy: -136.085
bonds (distance) P-C4' energy: -128.491
flat angles C4'-P-C4' energy: -155.753
flat angles P-C4'-P energy: -94.220
tors. eta vs tors. theta energy: -143.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1748.224977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.224977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.224977 (E_RNA)
where:
Base-Base interactions energy: -1133.383
where: short stacking energy: -550.772
Base-Backbone interact. energy: -3.486
local terms energy: -611.355152
where:
bonds (distance) C4'-P energy: -141.844
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -144.793
flat angles P-C4'-P energy: -86.031
tors. eta vs tors. theta energy: -128.526
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: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1613.988601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.988601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.988601 (E_RNA)
where:
Base-Base interactions energy: -1022.779
where: short stacking energy: -510.849
Base-Backbone interact. energy: -1.140
local terms energy: -590.070224
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -134.195
flat angles C4'-P-C4' energy: -142.472
flat angles P-C4'-P energy: -76.308
tors. eta vs tors. theta energy: -114.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1458.364106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.364106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.364106 (E_RNA)
where:
Base-Base interactions energy: -905.956
where: short stacking energy: -448.258
Base-Backbone interact. energy: -2.618
local terms energy: -549.790134
where:
bonds (distance) C4'-P energy: -124.240
bonds (distance) P-C4' energy: -139.146
flat angles C4'-P-C4' energy: -120.221
flat angles P-C4'-P energy: -70.872
tors. eta vs tors. theta energy: -95.311
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: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1136.517617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.517617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.517617 (E_RNA)
where:
Base-Base interactions energy: -647.135
where: short stacking energy: -370.632
Base-Backbone interact. energy: -3.021
local terms energy: -486.361487
where:
bonds (distance) C4'-P energy: -116.974
bonds (distance) P-C4' energy: -129.272
flat angles C4'-P-C4' energy: -110.260
flat angles P-C4'-P energy: -69.760
tors. eta vs tors. theta energy: -60.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1053.462529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.462529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.462529 (E_RNA)
where:
Base-Base interactions energy: -601.741
where: short stacking energy: -349.103
Base-Backbone interact. energy: -1.269
local terms energy: -450.452358
where:
bonds (distance) C4'-P energy: -106.363
bonds (distance) P-C4' energy: -134.823
flat angles C4'-P-C4' energy: -106.775
flat angles P-C4'-P energy: -62.731
tors. eta vs tors. theta energy: -39.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -1065.392093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.392093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.392093 (E_RNA)
where:
Base-Base interactions energy: -636.688
where: short stacking energy: -351.699
Base-Backbone interact. energy: -0.118
local terms energy: -428.586202
where:
bonds (distance) C4'-P energy: -114.832
bonds (distance) P-C4' energy: -106.528
flat angles C4'-P-C4' energy: -103.972
flat angles P-C4'-P energy: -60.692
tors. eta vs tors. theta energy: -42.563
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: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -734.928890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.928890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.928890 (E_RNA)
where:
Base-Base interactions energy: -338.756
where: short stacking energy: -241.186
Base-Backbone interact. energy: 7.199
local terms energy: -403.371824
where:
bonds (distance) C4'-P energy: -105.662
bonds (distance) P-C4' energy: -122.668
flat angles C4'-P-C4' energy: -95.013
flat angles P-C4'-P energy: -60.986
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -612.231430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.231430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.231430 (E_RNA)
where:
Base-Base interactions energy: -259.750
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.024
local terms energy: -352.458007
where:
bonds (distance) C4'-P energy: -112.803
bonds (distance) P-C4' energy: -121.933
flat angles C4'-P-C4' energy: -90.152
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: 35.877
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: 1, replica: 9
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -2064.795054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.795054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.795054 (E_RNA)
where:
Base-Base interactions energy: -1399.171
where: short stacking energy: -554.770
Base-Backbone interact. energy: 0.244
local terms energy: -665.867764
where:
bonds (distance) C4'-P energy: -135.707
bonds (distance) P-C4' energy: -150.863
flat angles C4'-P-C4' energy: -147.760
flat angles P-C4'-P energy: -107.327
tors. eta vs tors. theta energy: -124.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1871.859610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.859610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.859610 (E_RNA)
where:
Base-Base interactions energy: -1187.237
where: short stacking energy: -593.313
Base-Backbone interact. energy: 0.605
local terms energy: -685.227650
where:
bonds (distance) C4'-P energy: -135.440
bonds (distance) P-C4' energy: -133.419
flat angles C4'-P-C4' energy: -162.050
flat angles P-C4'-P energy: -95.203
tors. eta vs tors. theta energy: -159.116
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1844.841146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.841146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.841146 (E_RNA)
where:
Base-Base interactions energy: -1196.055
where: short stacking energy: -550.706
Base-Backbone interact. energy: -3.596
local terms energy: -645.190507
where:
bonds (distance) C4'-P energy: -130.890
bonds (distance) P-C4' energy: -150.060
flat angles C4'-P-C4' energy: -139.681
flat angles P-C4'-P energy: -88.302
tors. eta vs tors. theta energy: -136.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1666.645331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.645331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.645331 (E_RNA)
where:
Base-Base interactions energy: -1071.579
where: short stacking energy: -528.462
Base-Backbone interact. energy: -0.986
local terms energy: -594.080495
where:
bonds (distance) C4'-P energy: -125.023
bonds (distance) P-C4' energy: -125.436
flat angles C4'-P-C4' energy: -141.928
flat angles P-C4'-P energy: -80.704
tors. eta vs tors. theta energy: -120.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1489.936305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.936305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.936305 (E_RNA)
where:
Base-Base interactions energy: -933.272
where: short stacking energy: -441.322
Base-Backbone interact. energy: 1.417
local terms energy: -558.081136
where:
bonds (distance) C4'-P energy: -124.391
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -125.078
flat angles P-C4'-P energy: -77.232
tors. eta vs tors. theta energy: -96.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1173.265091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.265091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.265091 (E_RNA)
where:
Base-Base interactions energy: -682.864
where: short stacking energy: -347.668
Base-Backbone interact. energy: 2.220
local terms energy: -492.621470
where:
bonds (distance) C4'-P energy: -116.537
bonds (distance) P-C4' energy: -127.193
flat angles C4'-P-C4' energy: -126.369
flat angles P-C4'-P energy: -75.584
tors. eta vs tors. theta energy: -46.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1025.015175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.015175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.015175 (E_RNA)
where:
Base-Base interactions energy: -558.607
where: short stacking energy: -306.537
Base-Backbone interact. energy: 5.981
local terms energy: -472.388686
where:
bonds (distance) C4'-P energy: -118.476
bonds (distance) P-C4' energy: -136.713
flat angles C4'-P-C4' energy: -121.065
flat angles P-C4'-P energy: -66.821
tors. eta vs tors. theta energy: -29.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1045.202626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.202626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.202626 (E_RNA)
where:
Base-Base interactions energy: -581.309
where: short stacking energy: -299.428
Base-Backbone interact. energy: -0.064
local terms energy: -463.829103
where:
bonds (distance) C4'-P energy: -113.106
bonds (distance) P-C4' energy: -123.644
flat angles C4'-P-C4' energy: -107.081
flat angles P-C4'-P energy: -80.618
tors. eta vs tors. theta energy: -39.379
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: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -751.278864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.278864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.278864 (E_RNA)
where:
Base-Base interactions energy: -365.460
where: short stacking energy: -216.071
Base-Backbone interact. energy: -0.067
local terms energy: -385.751346
where:
bonds (distance) C4'-P energy: -126.392
bonds (distance) P-C4' energy: -115.893
flat angles C4'-P-C4' energy: -102.340
flat angles P-C4'-P energy: -46.649
tors. eta vs tors. theta energy: 5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -564.365532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.365532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.365532 (E_RNA)
where:
Base-Base interactions energy: -229.750
where: short stacking energy: -157.044
Base-Backbone interact. energy: -0.672
local terms energy: -333.944096
where:
bonds (distance) C4'-P energy: -96.460
bonds (distance) P-C4' energy: -116.621
flat angles C4'-P-C4' energy: -81.017
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: 8.726
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: 9
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -2126.467736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.467736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.467736 (E_RNA)
where:
Base-Base interactions energy: -1427.843
where: short stacking energy: -598.049
Base-Backbone interact. energy: -1.367
local terms energy: -697.257975
where:
bonds (distance) C4'-P energy: -135.573
bonds (distance) P-C4' energy: -156.700
flat angles C4'-P-C4' energy: -150.514
flat angles P-C4'-P energy: -104.823
tors. eta vs tors. theta energy: -149.649
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: 5
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1892.776374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.776374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.776374 (E_RNA)
where:
Base-Base interactions energy: -1208.196
where: short stacking energy: -633.859
Base-Backbone interact. energy: -3.344
local terms energy: -681.236807
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -137.500
flat angles C4'-P-C4' energy: -147.650
flat angles P-C4'-P energy: -97.728
tors. eta vs tors. theta energy: -159.101
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: 4
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1828.176334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.176334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.176334 (E_RNA)
where:
Base-Base interactions energy: -1195.543
where: short stacking energy: -557.994
Base-Backbone interact. energy: -5.575
local terms energy: -627.058489
where:
bonds (distance) C4'-P energy: -130.495
bonds (distance) P-C4' energy: -134.103
flat angles C4'-P-C4' energy: -140.694
flat angles P-C4'-P energy: -94.161
tors. eta vs tors. theta energy: -127.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1703.806946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.806946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.806946 (E_RNA)
where:
Base-Base interactions energy: -1085.292
where: short stacking energy: -508.535
Base-Backbone interact. energy: -4.561
local terms energy: -613.953857
where:
bonds (distance) C4'-P energy: -134.651
bonds (distance) P-C4' energy: -121.654
flat angles C4'-P-C4' energy: -148.902
flat angles P-C4'-P energy: -94.565
tors. eta vs tors. theta energy: -114.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1587.801489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.801489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.801489 (E_RNA)
where:
Base-Base interactions energy: -1020.681
where: short stacking energy: -481.005
Base-Backbone interact. energy: 0.617
local terms energy: -567.737554
where:
bonds (distance) C4'-P energy: -114.625
bonds (distance) P-C4' energy: -123.980
flat angles C4'-P-C4' energy: -126.079
flat angles P-C4'-P energy: -93.070
tors. eta vs tors. theta energy: -109.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1212.370874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.370874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.370874 (E_RNA)
where:
Base-Base interactions energy: -673.506
where: short stacking energy: -359.138
Base-Backbone interact. energy: -2.277
local terms energy: -536.587603
where:
bonds (distance) C4'-P energy: -116.037
bonds (distance) P-C4' energy: -144.832
flat angles C4'-P-C4' energy: -130.831
flat angles P-C4'-P energy: -91.773
tors. eta vs tors. theta energy: -53.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1173.197866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.197866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.197866 (E_RNA)
where:
Base-Base interactions energy: -720.318
where: short stacking energy: -364.566
Base-Backbone interact. energy: -0.209
local terms energy: -452.670972
where:
bonds (distance) C4'-P energy: -122.405
bonds (distance) P-C4' energy: -116.510
flat angles C4'-P-C4' energy: -102.459
flat angles P-C4'-P energy: -58.365
tors. eta vs tors. theta energy: -52.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -970.741153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.741153 (E_RNA)
where:
Base-Base interactions energy: -551.668
where: short stacking energy: -285.031
Base-Backbone interact. energy: -0.620
local terms energy: -418.452415
where:
bonds (distance) C4'-P energy: -104.482
bonds (distance) P-C4' energy: -103.092
flat angles C4'-P-C4' energy: -110.199
flat angles P-C4'-P energy: -69.674
tors. eta vs tors. theta energy: -31.005
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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -838.282650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.282650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.282650 (E_RNA)
where:
Base-Base interactions energy: -397.281
where: short stacking energy: -239.941
Base-Backbone interact. energy: 0.194
local terms energy: -441.195994
where:
bonds (distance) C4'-P energy: -118.197
bonds (distance) P-C4' energy: -123.214
flat angles C4'-P-C4' energy: -127.309
flat angles P-C4'-P energy: -63.493
tors. eta vs tors. theta energy: -8.984
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: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -582.231677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.231677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.231677 (E_RNA)
where:
Base-Base interactions energy: -231.698
where: short stacking energy: -168.769
Base-Backbone interact. energy: -0.884
local terms energy: -349.649739
where:
bonds (distance) C4'-P energy: -107.798
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -88.089
flat angles P-C4'-P energy: -49.441
tors. eta vs tors. theta energy: 22.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2081.869797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.869797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.869797 (E_RNA)
where:
Base-Base interactions energy: -1409.261
where: short stacking energy: -580.694
Base-Backbone interact. energy: -2.481
local terms energy: -670.127264
where:
bonds (distance) C4'-P energy: -133.877
bonds (distance) P-C4' energy: -141.649
flat angles C4'-P-C4' energy: -146.942
flat angles P-C4'-P energy: -99.883
tors. eta vs tors. theta energy: -147.776
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: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1899.274613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.274613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.274613 (E_RNA)
where:
Base-Base interactions energy: -1265.236
where: short stacking energy: -590.425
Base-Backbone interact. energy: -1.736
local terms energy: -632.302494
where:
bonds (distance) C4'-P energy: -122.274
bonds (distance) P-C4' energy: -129.244
flat angles C4'-P-C4' energy: -137.072
flat angles P-C4'-P energy: -91.624
tors. eta vs tors. theta energy: -152.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1860.197860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.197860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.197860 (E_RNA)
where:
Base-Base interactions energy: -1193.505
where: short stacking energy: -628.392
Base-Backbone interact. energy: 1.372
local terms energy: -668.065472
where:
bonds (distance) C4'-P energy: -128.680
bonds (distance) P-C4' energy: -125.346
flat angles C4'-P-C4' energy: -140.713
flat angles P-C4'-P energy: -99.379
tors. eta vs tors. theta energy: -173.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1768.250302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.250302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.250302 (E_RNA)
where:
Base-Base interactions energy: -1176.944
where: short stacking energy: -549.372
Base-Backbone interact. energy: 0.830
local terms energy: -592.137082
where:
bonds (distance) C4'-P energy: -115.143
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -145.563
flat angles P-C4'-P energy: -82.494
tors. eta vs tors. theta energy: -130.477
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: 19
Temperature: 1.100000
Total energy: -1611.478279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.478279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.478279 (E_RNA)
where:
Base-Base interactions energy: -1050.771
where: short stacking energy: -502.514
Base-Backbone interact. energy: 2.832
local terms energy: -563.540170
where:
bonds (distance) C4'-P energy: -132.396
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -117.257
flat angles P-C4'-P energy: -89.424
tors. eta vs tors. theta energy: -117.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1275.981782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.981782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.981782 (E_RNA)
where:
Base-Base interactions energy: -753.219
where: short stacking energy: -382.065
Base-Backbone interact. energy: 0.650
local terms energy: -523.413210
where:
bonds (distance) C4'-P energy: -137.157
bonds (distance) P-C4' energy: -106.446
flat angles C4'-P-C4' energy: -127.206
flat angles P-C4'-P energy: -69.042
tors. eta vs tors. theta energy: -83.562
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1243.431043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.431043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.431043 (E_RNA)
where:
Base-Base interactions energy: -749.663
where: short stacking energy: -386.826
Base-Backbone interact. energy: -0.863
local terms energy: -492.904974
where:
bonds (distance) C4'-P energy: -117.727
bonds (distance) P-C4' energy: -121.512
flat angles C4'-P-C4' energy: -116.108
flat angles P-C4'-P energy: -77.760
tors. eta vs tors. theta energy: -59.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1003.979653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.979653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.979653 (E_RNA)
where:
Base-Base interactions energy: -590.815
where: short stacking energy: -338.106
Base-Backbone interact. energy: -2.976
local terms energy: -410.188618
where:
bonds (distance) C4'-P energy: -103.230
bonds (distance) P-C4' energy: -110.265
flat angles C4'-P-C4' energy: -116.343
flat angles P-C4'-P energy: -42.305
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -881.110317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.110317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.110317 (E_RNA)
where:
Base-Base interactions energy: -476.380
where: short stacking energy: -279.173
Base-Backbone interact. energy: 1.167
local terms energy: -405.896851
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -130.354
flat angles C4'-P-C4' energy: -122.779
flat angles P-C4'-P energy: -40.176
tors. eta vs tors. theta energy: -10.621
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: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -598.912469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.912469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.912469 (E_RNA)
where:
Base-Base interactions energy: -185.912
where: short stacking energy: -148.176
Base-Backbone interact. energy: -0.160
local terms energy: -412.839825
where:
bonds (distance) C4'-P energy: -149.764
bonds (distance) P-C4' energy: -126.669
flat angles C4'-P-C4' energy: -84.133
flat angles P-C4'-P energy: -67.503
tors. eta vs tors. theta energy: 15.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2089.384169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.384169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.384169 (E_RNA)
where:
Base-Base interactions energy: -1440.749
where: short stacking energy: -573.353
Base-Backbone interact. energy: -1.961
local terms energy: -646.673961
where:
bonds (distance) C4'-P energy: -136.763
bonds (distance) P-C4' energy: -150.324
flat angles C4'-P-C4' energy: -142.285
flat angles P-C4'-P energy: -82.727
tors. eta vs tors. theta energy: -134.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1981.533701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.533701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.533701 (E_RNA)
where:
Base-Base interactions energy: -1280.198
where: short stacking energy: -622.318
Base-Backbone interact. energy: -2.104
local terms energy: -699.231918
where:
bonds (distance) C4'-P energy: -135.197
bonds (distance) P-C4' energy: -151.353
flat angles C4'-P-C4' energy: -148.348
flat angles P-C4'-P energy: -110.225
tors. eta vs tors. theta energy: -154.109
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: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1865.443107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.443107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.443107 (E_RNA)
where:
Base-Base interactions energy: -1169.438
where: short stacking energy: -619.078
Base-Backbone interact. energy: -1.393
local terms energy: -694.612622
where:
bonds (distance) C4'-P energy: -130.968
bonds (distance) P-C4' energy: -148.164
flat angles C4'-P-C4' energy: -153.202
flat angles P-C4'-P energy: -103.837
tors. eta vs tors. theta energy: -158.441
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: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1833.929332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.929332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.929332 (E_RNA)
where:
Base-Base interactions energy: -1190.273
where: short stacking energy: -563.785
Base-Backbone interact. energy: -3.004
local terms energy: -640.651891
where:
bonds (distance) C4'-P energy: -130.082
bonds (distance) P-C4' energy: -136.495
flat angles C4'-P-C4' energy: -134.252
flat angles P-C4'-P energy: -92.248
tors. eta vs tors. theta energy: -147.575
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: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1627.700685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.700685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.700685 (E_RNA)
where:
Base-Base interactions energy: -1059.157
where: short stacking energy: -477.288
Base-Backbone interact. energy: -0.541
local terms energy: -568.002518
where:
bonds (distance) C4'-P energy: -131.878
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -125.121
flat angles P-C4'-P energy: -89.537
tors. eta vs tors. theta energy: -99.387
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: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1294.235063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.235063 (E_RNA)
where:
Base-Base interactions energy: -814.575
where: short stacking energy: -404.584
Base-Backbone interact. energy: -2.474
local terms energy: -477.186268
where:
bonds (distance) C4'-P energy: -103.476
bonds (distance) P-C4' energy: -137.800
flat angles C4'-P-C4' energy: -100.806
flat angles P-C4'-P energy: -61.010
tors. eta vs tors. theta energy: -74.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1212.924463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.924463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.924463 (E_RNA)
where:
Base-Base interactions energy: -732.276
where: short stacking energy: -361.349
Base-Backbone interact. energy: 8.718
local terms energy: -489.366648
where:
bonds (distance) C4'-P energy: -121.110
bonds (distance) P-C4' energy: -114.473
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -65.084
tors. eta vs tors. theta energy: -67.784
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: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1023.366576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.366576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.366576 (E_RNA)
where:
Base-Base interactions energy: -557.302
where: short stacking energy: -298.105
Base-Backbone interact. energy: 0.261
local terms energy: -466.325845
where:
bonds (distance) C4'-P energy: -110.898
bonds (distance) P-C4' energy: -117.583
flat angles C4'-P-C4' energy: -114.897
flat angles P-C4'-P energy: -74.260
tors. eta vs tors. theta energy: -48.688
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: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -908.815983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.815983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.815983 (E_RNA)
where:
Base-Base interactions energy: -488.184
where: short stacking energy: -275.540
Base-Backbone interact. energy: 9.023
local terms energy: -429.654687
where:
bonds (distance) C4'-P energy: -121.525
bonds (distance) P-C4' energy: -119.783
flat angles C4'-P-C4' energy: -97.953
flat angles P-C4'-P energy: -61.412
tors. eta vs tors. theta energy: -28.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -560.451819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.451819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.451819 (E_RNA)
where:
Base-Base interactions energy: -215.594
where: short stacking energy: -193.849
Base-Backbone interact. energy: 5.084
local terms energy: -349.941813
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -137.386
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -50.090
tors. eta vs tors. theta energy: 7.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2095.662655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.662655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.662655 (E_RNA)
where:
Base-Base interactions energy: -1439.185
where: short stacking energy: -600.649
Base-Backbone interact. energy: -6.677
local terms energy: -649.800200
where:
bonds (distance) C4'-P energy: -126.559
bonds (distance) P-C4' energy: -131.032
flat angles C4'-P-C4' energy: -156.611
flat angles P-C4'-P energy: -95.602
tors. eta vs tors. theta energy: -139.997
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: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1980.556115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.556115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.556115 (E_RNA)
where:
Base-Base interactions energy: -1309.301
where: short stacking energy: -597.608
Base-Backbone interact. energy: -3.029
local terms energy: -668.225947
where:
bonds (distance) C4'-P energy: -132.511
bonds (distance) P-C4' energy: -133.875
flat angles C4'-P-C4' energy: -144.343
flat angles P-C4'-P energy: -100.053
tors. eta vs tors. theta energy: -157.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1772.609966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.609966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.609966 (E_RNA)
where:
Base-Base interactions energy: -1134.836
where: short stacking energy: -574.846
Base-Backbone interact. energy: 0.066
local terms energy: -637.839380
where:
bonds (distance) C4'-P energy: -116.391
bonds (distance) P-C4' energy: -148.995
flat angles C4'-P-C4' energy: -142.568
flat angles P-C4'-P energy: -79.856
tors. eta vs tors. theta energy: -150.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1863.091967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.091967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.091967 (E_RNA)
where:
Base-Base interactions energy: -1228.034
where: short stacking energy: -572.183
Base-Backbone interact. energy: -2.698
local terms energy: -632.359182
where:
bonds (distance) C4'-P energy: -135.643
bonds (distance) P-C4' energy: -132.921
flat angles C4'-P-C4' energy: -140.588
flat angles P-C4'-P energy: -80.862
tors. eta vs tors. theta energy: -142.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1654.295695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.295695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.295695 (E_RNA)
where:
Base-Base interactions energy: -1068.872
where: short stacking energy: -522.258
Base-Backbone interact. energy: -0.744
local terms energy: -584.679523
where:
bonds (distance) C4'-P energy: -131.632
bonds (distance) P-C4' energy: -124.878
flat angles C4'-P-C4' energy: -139.363
flat angles P-C4'-P energy: -85.491
tors. eta vs tors. theta energy: -103.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1356.647882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.647882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.647882 (E_RNA)
where:
Base-Base interactions energy: -833.110
where: short stacking energy: -432.003
Base-Backbone interact. energy: 6.914
local terms energy: -530.452100
where:
bonds (distance) C4'-P energy: -119.317
bonds (distance) P-C4' energy: -121.323
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -73.963
tors. eta vs tors. theta energy: -84.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1372.271893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.271893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.271893 (E_RNA)
where:
Base-Base interactions energy: -857.372
where: short stacking energy: -411.503
Base-Backbone interact. energy: -2.153
local terms energy: -512.746612
where:
bonds (distance) C4'-P energy: -108.657
bonds (distance) P-C4' energy: -137.203
flat angles C4'-P-C4' energy: -127.595
flat angles P-C4'-P energy: -65.348
tors. eta vs tors. theta energy: -73.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1049.809275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.809275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.809275 (E_RNA)
where:
Base-Base interactions energy: -618.966
where: short stacking energy: -318.813
Base-Backbone interact. energy: 4.589
local terms energy: -435.432326
where:
bonds (distance) C4'-P energy: -114.898
bonds (distance) P-C4' energy: -103.985
flat angles C4'-P-C4' energy: -101.420
flat angles P-C4'-P energy: -78.645
tors. eta vs tors. theta energy: -36.484
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -941.818346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.818346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.818346 (E_RNA)
where:
Base-Base interactions energy: -522.308
where: short stacking energy: -269.087
Base-Backbone interact. energy: 0.648
local terms energy: -420.158236
where:
bonds (distance) C4'-P energy: -107.295
bonds (distance) P-C4' energy: -99.423
flat angles C4'-P-C4' energy: -133.104
flat angles P-C4'-P energy: -57.222
tors. eta vs tors. theta energy: -23.115
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: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -561.620270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.620270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.620270 (E_RNA)
where:
Base-Base interactions energy: -224.128
where: short stacking energy: -203.530
Base-Backbone interact. energy: -0.009
local terms energy: -337.482748
where:
bonds (distance) C4'-P energy: -105.052
bonds (distance) P-C4' energy: -115.261
flat angles C4'-P-C4' energy: -79.076
flat angles P-C4'-P energy: -46.506
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: 9
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -2081.465798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.465798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.465798 (E_RNA)
where:
Base-Base interactions energy: -1418.941
where: short stacking energy: -594.350
Base-Backbone interact. energy: -0.637
local terms energy: -661.888098
where:
bonds (distance) C4'-P energy: -140.556
bonds (distance) P-C4' energy: -145.116
flat angles C4'-P-C4' energy: -152.351
flat angles P-C4'-P energy: -98.848
tors. eta vs tors. theta energy: -125.018
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: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1919.745932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.745932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.745932 (E_RNA)
where:
Base-Base interactions energy: -1266.261
where: short stacking energy: -569.783
Base-Backbone interact. energy: -4.391
local terms energy: -649.094170
where:
bonds (distance) C4'-P energy: -132.736
bonds (distance) P-C4' energy: -121.718
flat angles C4'-P-C4' energy: -137.806
flat angles P-C4'-P energy: -107.633
tors. eta vs tors. theta energy: -149.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1946.786405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.786405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.786405 (E_RNA)
where:
Base-Base interactions energy: -1292.806
where: short stacking energy: -626.979
Base-Backbone interact. energy: -1.182
local terms energy: -652.798179
where:
bonds (distance) C4'-P energy: -130.570
bonds (distance) P-C4' energy: -132.804
flat angles C4'-P-C4' energy: -142.842
flat angles P-C4'-P energy: -84.125
tors. eta vs tors. theta energy: -162.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1721.082760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.082760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.082760 (E_RNA)
where:
Base-Base interactions energy: -1089.933
where: short stacking energy: -534.296
Base-Backbone interact. energy: -4.576
local terms energy: -626.574513
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -130.063
flat angles P-C4'-P energy: -91.882
tors. eta vs tors. theta energy: -140.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1689.004575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.004575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.004575 (E_RNA)
where:
Base-Base interactions energy: -1111.392
where: short stacking energy: -500.552
Base-Backbone interact. energy: 0.241
local terms energy: -577.852835
where:
bonds (distance) C4'-P energy: -120.021
bonds (distance) P-C4' energy: -122.000
flat angles C4'-P-C4' energy: -139.015
flat angles P-C4'-P energy: -90.072
tors. eta vs tors. theta energy: -106.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1271.976611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.976611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.976611 (E_RNA)
where:
Base-Base interactions energy: -762.100
where: short stacking energy: -360.845
Base-Backbone interact. energy: -1.142
local terms energy: -508.734682
where:
bonds (distance) C4'-P energy: -143.799
bonds (distance) P-C4' energy: -130.571
flat angles C4'-P-C4' energy: -104.531
flat angles P-C4'-P energy: -60.141
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: 7, replica: 7
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1353.507552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.507552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.507552 (E_RNA)
where:
Base-Base interactions energy: -876.493
where: short stacking energy: -427.676
Base-Backbone interact. energy: -2.672
local terms energy: -474.342806
where:
bonds (distance) C4'-P energy: -95.000
bonds (distance) P-C4' energy: -118.337
flat angles C4'-P-C4' energy: -120.700
flat angles P-C4'-P energy: -61.586
tors. eta vs tors. theta energy: -78.720
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: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1115.760819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.760819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.760819 (E_RNA)
where:
Base-Base interactions energy: -651.007
where: short stacking energy: -342.982
Base-Backbone interact. energy: -3.530
local terms energy: -461.224001
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -124.501
flat angles C4'-P-C4' energy: -120.078
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: -40.812
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: 10
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -974.070680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.070680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.070680 (E_RNA)
where:
Base-Base interactions energy: -587.621
where: short stacking energy: -281.860
Base-Backbone interact. energy: -1.851
local terms energy: -384.598926
where:
bonds (distance) C4'-P energy: -92.102
bonds (distance) P-C4' energy: -121.076
flat angles C4'-P-C4' energy: -98.539
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -637.809648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.809648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.809648 (E_RNA)
where:
Base-Base interactions energy: -311.197
where: short stacking energy: -186.063
Base-Backbone interact. energy: 3.595
local terms energy: -330.207887
where:
bonds (distance) C4'-P energy: -97.929
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -80.013
flat angles P-C4'-P energy: -69.587
tors. eta vs tors. theta energy: 29.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2082.524698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.524698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.524698 (E_RNA)
where:
Base-Base interactions energy: -1424.844
where: short stacking energy: -605.131
Base-Backbone interact. energy: -3.504
local terms energy: -654.176675
where:
bonds (distance) C4'-P energy: -136.155
bonds (distance) P-C4' energy: -154.973
flat angles C4'-P-C4' energy: -148.517
flat angles P-C4'-P energy: -82.172
tors. eta vs tors. theta energy: -132.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1939.220715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.220715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.220715 (E_RNA)
where:
Base-Base interactions energy: -1270.587
where: short stacking energy: -613.574
Base-Backbone interact. energy: -1.858
local terms energy: -666.775547
where:
bonds (distance) C4'-P energy: -136.839
bonds (distance) P-C4' energy: -142.366
flat angles C4'-P-C4' energy: -140.020
flat angles P-C4'-P energy: -93.274
tors. eta vs tors. theta energy: -154.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1884.608545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.608545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.608545 (E_RNA)
where:
Base-Base interactions energy: -1265.103
where: short stacking energy: -599.257
Base-Backbone interact. energy: -2.857
local terms energy: -616.648600
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -121.818
flat angles C4'-P-C4' energy: -128.378
flat angles P-C4'-P energy: -95.138
tors. eta vs tors. theta energy: -150.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1781.475598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.475598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.475598 (E_RNA)
where:
Base-Base interactions energy: -1161.317
where: short stacking energy: -526.768
Base-Backbone interact. energy: -2.590
local terms energy: -617.568601
where:
bonds (distance) C4'-P energy: -122.323
bonds (distance) P-C4' energy: -132.926
flat angles C4'-P-C4' energy: -157.149
flat angles P-C4'-P energy: -73.907
tors. eta vs tors. theta energy: -131.264
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: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1645.978691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.978691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.978691 (E_RNA)
where:
Base-Base interactions energy: -1042.451
where: short stacking energy: -536.108
Base-Backbone interact. energy: 1.120
local terms energy: -604.647943
where:
bonds (distance) C4'-P energy: -134.865
bonds (distance) P-C4' energy: -135.833
flat angles C4'-P-C4' energy: -131.507
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -122.918
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: 7
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1442.072500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.072500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.072500 (E_RNA)
where:
Base-Base interactions energy: -938.898
where: short stacking energy: -450.651
Base-Backbone interact. energy: -4.139
local terms energy: -499.036094
where:
bonds (distance) C4'-P energy: -112.367
bonds (distance) P-C4' energy: -113.950
flat angles C4'-P-C4' energy: -114.707
flat angles P-C4'-P energy: -70.143
tors. eta vs tors. theta energy: -87.868
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: 1
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1233.774675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.774675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.774675 (E_RNA)
where:
Base-Base interactions energy: -725.737
where: short stacking energy: -392.667
Base-Backbone interact. energy: 11.855
local terms energy: -519.893327
where:
bonds (distance) C4'-P energy: -123.687
bonds (distance) P-C4' energy: -116.021
flat angles C4'-P-C4' energy: -131.661
flat angles P-C4'-P energy: -73.338
tors. eta vs tors. theta energy: -75.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1145.649348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.649348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.649348 (E_RNA)
where:
Base-Base interactions energy: -689.375
where: short stacking energy: -353.236
Base-Backbone interact. energy: -0.105
local terms energy: -456.169421
where:
bonds (distance) C4'-P energy: -122.917
bonds (distance) P-C4' energy: -130.440
flat angles C4'-P-C4' energy: -102.874
flat angles P-C4'-P energy: -47.461
tors. eta vs tors. theta energy: -52.477
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: 9, replica: 10
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -878.652806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.652806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.652806 (E_RNA)
where:
Base-Base interactions energy: -458.724
where: short stacking energy: -253.942
Base-Backbone interact. energy: 0.486
local terms energy: -420.414272
where:
bonds (distance) C4'-P energy: -107.114
bonds (distance) P-C4' energy: -124.013
flat angles C4'-P-C4' energy: -109.294
flat angles P-C4'-P energy: -57.270
tors. eta vs tors. theta energy: -22.724
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: 6
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -643.896469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.896469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.896469 (E_RNA)
where:
Base-Base interactions energy: -287.018
where: short stacking energy: -188.372
Base-Backbone interact. energy: 0.628
local terms energy: -357.506506
where:
bonds (distance) C4'-P energy: -103.579
bonds (distance) P-C4' energy: -108.136
flat angles C4'-P-C4' energy: -106.855
flat angles P-C4'-P energy: -54.390
tors. eta vs tors. theta energy: 15.454
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: 1, replica: 9
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2106.268114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.268114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.268114 (E_RNA)
where:
Base-Base interactions energy: -1445.013
where: short stacking energy: -614.858
Base-Backbone interact. energy: 2.378
local terms energy: -663.632905
where:
bonds (distance) C4'-P energy: -129.105
bonds (distance) P-C4' energy: -143.626
flat angles C4'-P-C4' energy: -144.074
flat angles P-C4'-P energy: -101.271
tors. eta vs tors. theta energy: -145.558
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1971.775389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.775389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.775389 (E_RNA)
where:
Base-Base interactions energy: -1298.193
where: short stacking energy: -589.267
Base-Backbone interact. energy: -3.631
local terms energy: -669.951111
where:
bonds (distance) C4'-P energy: -134.643
bonds (distance) P-C4' energy: -129.419
flat angles C4'-P-C4' energy: -142.392
flat angles P-C4'-P energy: -104.292
tors. eta vs tors. theta energy: -159.206
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: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1911.789593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.789593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.789593 (E_RNA)
where:
Base-Base interactions energy: -1272.590
where: short stacking energy: -554.860
Base-Backbone interact. energy: -1.891
local terms energy: -637.308632
where:
bonds (distance) C4'-P energy: -122.298
bonds (distance) P-C4' energy: -133.205
flat angles C4'-P-C4' energy: -143.891
flat angles P-C4'-P energy: -92.329
tors. eta vs tors. theta energy: -145.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1812.895559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.895559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.895559 (E_RNA)
where:
Base-Base interactions energy: -1192.239
where: short stacking energy: -550.778
Base-Backbone interact. energy: 0.024
local terms energy: -620.681240
where:
bonds (distance) C4'-P energy: -123.526
bonds (distance) P-C4' energy: -121.509
flat angles C4'-P-C4' energy: -147.934
flat angles P-C4'-P energy: -100.389
tors. eta vs tors. theta energy: -127.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1620.866824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.866824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.866824 (E_RNA)
where:
Base-Base interactions energy: -1060.266
where: short stacking energy: -526.133
Base-Backbone interact. energy: -0.631
local terms energy: -559.969944
where:
bonds (distance) C4'-P energy: -116.651
bonds (distance) P-C4' energy: -128.172
flat angles C4'-P-C4' energy: -138.954
flat angles P-C4'-P energy: -69.607
tors. eta vs tors. theta energy: -106.586
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: 7
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1441.088974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.088974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.088974 (E_RNA)
where:
Base-Base interactions energy: -915.953
where: short stacking energy: -442.014
Base-Backbone interact. energy: 2.880
local terms energy: -528.016717
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -122.423
flat angles C4'-P-C4' energy: -114.232
flat angles P-C4'-P energy: -86.230
tors. eta vs tors. theta energy: -89.334
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: 7, replica: 1
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1176.467263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.467263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.467263 (E_RNA)
where:
Base-Base interactions energy: -689.764
where: short stacking energy: -364.783
Base-Backbone interact. energy: 4.026
local terms energy: -490.729210
where:
bonds (distance) C4'-P energy: -103.318
bonds (distance) P-C4' energy: -110.792
flat angles C4'-P-C4' energy: -134.353
flat angles P-C4'-P energy: -70.845
tors. eta vs tors. theta energy: -71.421
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: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1138.538849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.538849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.538849 (E_RNA)
where:
Base-Base interactions energy: -677.429
where: short stacking energy: -333.922
Base-Backbone interact. energy: -0.655
local terms energy: -460.454446
where:
bonds (distance) C4'-P energy: -97.790
bonds (distance) P-C4' energy: -113.260
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -51.767
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: 10
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -844.160467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.160467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.160467 (E_RNA)
where:
Base-Base interactions energy: -427.074
where: short stacking energy: -234.791
Base-Backbone interact. energy: 5.746
local terms energy: -422.833206
where:
bonds (distance) C4'-P energy: -105.287
bonds (distance) P-C4' energy: -123.868
flat angles C4'-P-C4' energy: -94.489
flat angles P-C4'-P energy: -85.849
tors. eta vs tors. theta energy: -13.340
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: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -655.163478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.163478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.163478 (E_RNA)
where:
Base-Base interactions energy: -310.971
where: short stacking energy: -199.040
Base-Backbone interact. energy: -3.978
local terms energy: -340.214542
where:
bonds (distance) C4'-P energy: -99.128
bonds (distance) P-C4' energy: -105.587
flat angles C4'-P-C4' energy: -109.855
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: 20.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2113.607376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.607376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.607376 (E_RNA)
where:
Base-Base interactions energy: -1461.885
where: short stacking energy: -611.269
Base-Backbone interact. energy: -4.939
local terms energy: -646.783522
where:
bonds (distance) C4'-P energy: -134.971
bonds (distance) P-C4' energy: -136.513
flat angles C4'-P-C4' energy: -140.127
flat angles P-C4'-P energy: -90.700
tors. eta vs tors. theta energy: -144.473
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1995.712086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.712086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.712086 (E_RNA)
where:
Base-Base interactions energy: -1324.325
where: short stacking energy: -629.818
Base-Backbone interact. energy: -0.195
local terms energy: -671.192246
where:
bonds (distance) C4'-P energy: -115.401
bonds (distance) P-C4' energy: -138.145
flat angles C4'-P-C4' energy: -144.501
flat angles P-C4'-P energy: -101.943
tors. eta vs tors. theta energy: -171.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1992.726582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.726582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.726582 (E_RNA)
where:
Base-Base interactions energy: -1319.948
where: short stacking energy: -612.583
Base-Backbone interact. energy: 1.085
local terms energy: -673.864025
where:
bonds (distance) C4'-P energy: -117.213
bonds (distance) P-C4' energy: -142.257
flat angles C4'-P-C4' energy: -153.093
flat angles P-C4'-P energy: -94.476
tors. eta vs tors. theta energy: -166.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1892.748041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.748041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.748041 (E_RNA)
where:
Base-Base interactions energy: -1275.901
where: short stacking energy: -580.576
Base-Backbone interact. energy: -2.922
local terms energy: -613.924613
where:
bonds (distance) C4'-P energy: -128.344
bonds (distance) P-C4' energy: -123.042
flat angles C4'-P-C4' energy: -137.964
flat angles P-C4'-P energy: -84.473
tors. eta vs tors. theta energy: -140.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1605.160158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.160158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.160158 (E_RNA)
where:
Base-Base interactions energy: -1023.996
where: short stacking energy: -519.690
Base-Backbone interact. energy: -0.434
local terms energy: -580.729962
where:
bonds (distance) C4'-P energy: -129.055
bonds (distance) P-C4' energy: -110.040
flat angles C4'-P-C4' energy: -134.768
flat angles P-C4'-P energy: -84.407
tors. eta vs tors. theta energy: -122.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1518.857344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.857344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.857344 (E_RNA)
where:
Base-Base interactions energy: -968.766
where: short stacking energy: -482.829
Base-Backbone interact. energy: 2.729
local terms energy: -552.820769
where:
bonds (distance) C4'-P energy: -118.499
bonds (distance) P-C4' energy: -112.132
flat angles C4'-P-C4' energy: -128.668
flat angles P-C4'-P energy: -86.453
tors. eta vs tors. theta energy: -107.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1202.115965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.115965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.115965 (E_RNA)
where:
Base-Base interactions energy: -718.123
where: short stacking energy: -381.465
Base-Backbone interact. energy: -2.160
local terms energy: -481.833134
where:
bonds (distance) C4'-P energy: -108.922
bonds (distance) P-C4' energy: -119.707
flat angles C4'-P-C4' energy: -114.865
flat angles P-C4'-P energy: -66.848
tors. eta vs tors. theta energy: -71.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1137.071191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.071191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.071191 (E_RNA)
where:
Base-Base interactions energy: -671.087
where: short stacking energy: -342.290
Base-Backbone interact. energy: 0.641
local terms energy: -466.625819
where:
bonds (distance) C4'-P energy: -100.604
bonds (distance) P-C4' energy: -128.041
flat angles C4'-P-C4' energy: -122.700
flat angles P-C4'-P energy: -69.324
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -857.112573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.112573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.112573 (E_RNA)
where:
Base-Base interactions energy: -451.115
where: short stacking energy: -244.825
Base-Backbone interact. energy: -0.098
local terms energy: -405.899200
where:
bonds (distance) C4'-P energy: -119.379
bonds (distance) P-C4' energy: -100.985
flat angles C4'-P-C4' energy: -113.196
flat angles P-C4'-P energy: -64.963
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -637.220742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.220742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.220742 (E_RNA)
where:
Base-Base interactions energy: -297.934
where: short stacking energy: -184.408
Base-Backbone interact. energy: 1.345
local terms energy: -340.631247
where:
bonds (distance) C4'-P energy: -94.950
bonds (distance) P-C4' energy: -110.516
flat angles C4'-P-C4' energy: -92.799
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: 11.576
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: 9
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -2100.055941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.055941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.055941 (E_RNA)
where:
Base-Base interactions energy: -1428.335
where: short stacking energy: -631.365
Base-Backbone interact. energy: -4.087
local terms energy: -667.634266
where:
bonds (distance) C4'-P energy: -130.083
bonds (distance) P-C4' energy: -140.549
flat angles C4'-P-C4' energy: -153.629
flat angles P-C4'-P energy: -97.856
tors. eta vs tors. theta energy: -145.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2013.328022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.328022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.328022 (E_RNA)
where:
Base-Base interactions energy: -1315.340
where: short stacking energy: -648.579
Base-Backbone interact. energy: -1.936
local terms energy: -696.051424
where:
bonds (distance) C4'-P energy: -149.283
bonds (distance) P-C4' energy: -139.664
flat angles C4'-P-C4' energy: -147.714
flat angles P-C4'-P energy: -105.563
tors. eta vs tors. theta energy: -153.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1918.326584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.326584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.326584 (E_RNA)
where:
Base-Base interactions energy: -1291.278
where: short stacking energy: -611.439
Base-Backbone interact. energy: -5.896
local terms energy: -621.152871
where:
bonds (distance) C4'-P energy: -125.989
bonds (distance) P-C4' energy: -123.704
flat angles C4'-P-C4' energy: -135.180
flat angles P-C4'-P energy: -85.987
tors. eta vs tors. theta energy: -150.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1920.746099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.746099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.746099 (E_RNA)
where:
Base-Base interactions energy: -1299.624
where: short stacking energy: -579.335
Base-Backbone interact. energy: -3.772
local terms energy: -617.350300
where:
bonds (distance) C4'-P energy: -120.831
bonds (distance) P-C4' energy: -119.572
flat angles C4'-P-C4' energy: -138.096
flat angles P-C4'-P energy: -96.725
tors. eta vs tors. theta energy: -142.126
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: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1593.292487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.292487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.292487 (E_RNA)
where:
Base-Base interactions energy: -999.323
where: short stacking energy: -486.641
Base-Backbone interact. energy: 2.051
local terms energy: -596.020900
where:
bonds (distance) C4'-P energy: -131.202
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -140.278
flat angles P-C4'-P energy: -85.671
tors. eta vs tors. theta energy: -111.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1583.434513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.434513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.434513 (E_RNA)
where:
Base-Base interactions energy: -1008.166
where: short stacking energy: -441.528
Base-Backbone interact. energy: -1.802
local terms energy: -573.466721
where:
bonds (distance) C4'-P energy: -130.036
bonds (distance) P-C4' energy: -130.165
flat angles C4'-P-C4' energy: -133.450
flat angles P-C4'-P energy: -78.615
tors. eta vs tors. theta energy: -101.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1152.530816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.530816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.530816 (E_RNA)
where:
Base-Base interactions energy: -686.272
where: short stacking energy: -340.552
Base-Backbone interact. energy: 0.941
local terms energy: -467.199739
where:
bonds (distance) C4'-P energy: -102.005
bonds (distance) P-C4' energy: -138.591
flat angles C4'-P-C4' energy: -103.858
flat angles P-C4'-P energy: -59.373
tors. eta vs tors. theta energy: -63.372
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: 1
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1058.095467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.095467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.095467 (E_RNA)
where:
Base-Base interactions energy: -617.200
where: short stacking energy: -370.107
Base-Backbone interact. energy: 3.740
local terms energy: -444.636135
where:
bonds (distance) C4'-P energy: -111.672
bonds (distance) P-C4' energy: -107.164
flat angles C4'-P-C4' energy: -110.878
flat angles P-C4'-P energy: -61.097
tors. eta vs tors. theta energy: -53.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -863.857810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.857810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.857810 (E_RNA)
where:
Base-Base interactions energy: -466.645
where: short stacking energy: -254.559
Base-Backbone interact. energy: 0.630
local terms energy: -397.843063
where:
bonds (distance) C4'-P energy: -99.987
bonds (distance) P-C4' energy: -109.320
flat angles C4'-P-C4' energy: -105.586
flat angles P-C4'-P energy: -63.712
tors. eta vs tors. theta energy: -19.238
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: 26
Temperature: 1.350000
Total energy: -685.388264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.388264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.388264 (E_RNA)
where:
Base-Base interactions energy: -278.027
where: short stacking energy: -165.180
Base-Backbone interact. energy: -1.992
local terms energy: -405.369693
where:
bonds (distance) C4'-P energy: -115.269
bonds (distance) P-C4' energy: -128.502
flat angles C4'-P-C4' energy: -99.339
flat angles P-C4'-P energy: -69.984
tors. eta vs tors. theta energy: 7.724
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: 9
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2128.151852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.151852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.151852 (E_RNA)
where:
Base-Base interactions energy: -1450.938
where: short stacking energy: -618.040
Base-Backbone interact. energy: -2.988
local terms energy: -674.225624
where:
bonds (distance) C4'-P energy: -128.415
bonds (distance) P-C4' energy: -141.686
flat angles C4'-P-C4' energy: -156.300
flat angles P-C4'-P energy: -111.262
tors. eta vs tors. theta energy: -136.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1995.366775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.366775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.366775 (E_RNA)
where:
Base-Base interactions energy: -1320.816
where: short stacking energy: -602.621
Base-Backbone interact. energy: -1.629
local terms energy: -672.922415
where:
bonds (distance) C4'-P energy: -137.472
bonds (distance) P-C4' energy: -135.379
flat angles C4'-P-C4' energy: -141.269
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -161.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1959.205774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.205774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.205774 (E_RNA)
where:
Base-Base interactions energy: -1284.844
where: short stacking energy: -600.321
Base-Backbone interact. energy: -3.456
local terms energy: -670.905978
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -144.590
flat angles C4'-P-C4' energy: -143.202
flat angles P-C4'-P energy: -90.333
tors. eta vs tors. theta energy: -159.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1924.456146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.456146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.456146 (E_RNA)
where:
Base-Base interactions energy: -1332.552
where: short stacking energy: -565.453
Base-Backbone interact. energy: 4.346
local terms energy: -596.250234
where:
bonds (distance) C4'-P energy: -119.791
bonds (distance) P-C4' energy: -124.491
flat angles C4'-P-C4' energy: -126.622
flat angles P-C4'-P energy: -86.278
tors. eta vs tors. theta energy: -139.069
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: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1562.729831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.729831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.729831 (E_RNA)
where:
Base-Base interactions energy: -995.694
where: short stacking energy: -495.752
Base-Backbone interact. energy: 0.400
local terms energy: -567.435058
where:
bonds (distance) C4'-P energy: -121.961
bonds (distance) P-C4' energy: -129.329
flat angles C4'-P-C4' energy: -131.866
flat angles P-C4'-P energy: -67.718
tors. eta vs tors. theta energy: -116.561
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1705.350079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.350079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.350079 (E_RNA)
where:
Base-Base interactions energy: -1157.385
where: short stacking energy: -534.173
Base-Backbone interact. energy: -0.471
local terms energy: -547.494254
where:
bonds (distance) C4'-P energy: -113.158
bonds (distance) P-C4' energy: -114.233
flat angles C4'-P-C4' energy: -132.184
flat angles P-C4'-P energy: -73.215
tors. eta vs tors. theta energy: -114.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1166.325935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.325935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.325935 (E_RNA)
where:
Base-Base interactions energy: -703.923
where: short stacking energy: -368.606
Base-Backbone interact. energy: 1.460
local terms energy: -463.862955
where:
bonds (distance) C4'-P energy: -102.205
bonds (distance) P-C4' energy: -128.250
flat angles C4'-P-C4' energy: -124.264
flat angles P-C4'-P energy: -53.787
tors. eta vs tors. theta energy: -55.357
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: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1095.400943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.400943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.400943 (E_RNA)
where:
Base-Base interactions energy: -648.829
where: short stacking energy: -378.869
Base-Backbone interact. energy: 2.439
local terms energy: -449.010319
where:
bonds (distance) C4'-P energy: -105.826
bonds (distance) P-C4' energy: -120.458
flat angles C4'-P-C4' energy: -110.521
flat angles P-C4'-P energy: -62.030
tors. eta vs tors. theta energy: -50.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -872.437003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.437003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.437003 (E_RNA)
where:
Base-Base interactions energy: -475.677
where: short stacking energy: -245.781
Base-Backbone interact. energy: 0.894
local terms energy: -397.653766
where:
bonds (distance) C4'-P energy: -109.654
bonds (distance) P-C4' energy: -131.432
flat angles C4'-P-C4' energy: -87.843
flat angles P-C4'-P energy: -49.660
tors. eta vs tors. theta energy: -19.065
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -675.608535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.608535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.608535 (E_RNA)
where:
Base-Base interactions energy: -335.152
where: short stacking energy: -213.441
Base-Backbone interact. energy: -1.564
local terms energy: -338.892172
where:
bonds (distance) C4'-P energy: -104.503
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -93.073
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: 21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2106.798837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.798837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.798837 (E_RNA)
where:
Base-Base interactions energy: -1436.010
where: short stacking energy: -659.485
Base-Backbone interact. energy: -4.394
local terms energy: -666.395197
where:
bonds (distance) C4'-P energy: -137.446
bonds (distance) P-C4' energy: -134.619
flat angles C4'-P-C4' energy: -152.461
flat angles P-C4'-P energy: -93.917
tors. eta vs tors. theta energy: -147.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -2021.409525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.409525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.409525 (E_RNA)
where:
Base-Base interactions energy: -1358.009
where: short stacking energy: -637.088
Base-Backbone interact. energy: 4.624
local terms energy: -668.024873
where:
bonds (distance) C4'-P energy: -125.743
bonds (distance) P-C4' energy: -134.832
flat angles C4'-P-C4' energy: -152.425
flat angles P-C4'-P energy: -94.630
tors. eta vs tors. theta energy: -160.395
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1992.858658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.858658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.858658 (E_RNA)
where:
Base-Base interactions energy: -1338.887
where: short stacking energy: -629.233
Base-Backbone interact. energy: -2.710
local terms energy: -651.261295
where:
bonds (distance) C4'-P energy: -130.963
bonds (distance) P-C4' energy: -123.183
flat angles C4'-P-C4' energy: -150.777
flat angles P-C4'-P energy: -87.458
tors. eta vs tors. theta energy: -158.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1912.840299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.840299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.840299 (E_RNA)
where:
Base-Base interactions energy: -1339.204
where: short stacking energy: -564.597
Base-Backbone interact. energy: 8.472
local terms energy: -582.109076
where:
bonds (distance) C4'-P energy: -108.243
bonds (distance) P-C4' energy: -114.687
flat angles C4'-P-C4' energy: -127.282
flat angles P-C4'-P energy: -104.803
tors. eta vs tors. theta energy: -127.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1841.799607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.799607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.799607 (E_RNA)
where:
Base-Base interactions energy: -1241.388
where: short stacking energy: -562.994
Base-Backbone interact. energy: -1.904
local terms energy: -598.507430
where:
bonds (distance) C4'-P energy: -117.230
bonds (distance) P-C4' energy: -125.021
flat angles C4'-P-C4' energy: -137.272
flat angles P-C4'-P energy: -93.722
tors. eta vs tors. theta energy: -125.262
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: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1522.159692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.159692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.159692 (E_RNA)
where:
Base-Base interactions energy: -967.224
where: short stacking energy: -470.368
Base-Backbone interact. energy: 1.055
local terms energy: -555.990578
where:
bonds (distance) C4'-P energy: -114.395
bonds (distance) P-C4' energy: -140.601
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -85.187
tors. eta vs tors. theta energy: -95.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1243.107751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.107751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.107751 (E_RNA)
where:
Base-Base interactions energy: -747.559
where: short stacking energy: -395.072
Base-Backbone interact. energy: -3.576
local terms energy: -491.972712
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -125.163
flat angles C4'-P-C4' energy: -107.692
flat angles P-C4'-P energy: -69.251
tors. eta vs tors. theta energy: -82.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -1071.504772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.504772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.504772 (E_RNA)
where:
Base-Base interactions energy: -609.552
where: short stacking energy: -323.545
Base-Backbone interact. energy: 4.476
local terms energy: -466.429113
where:
bonds (distance) C4'-P energy: -103.190
bonds (distance) P-C4' energy: -134.703
flat angles C4'-P-C4' energy: -125.144
flat angles P-C4'-P energy: -59.907
tors. eta vs tors. theta energy: -43.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -835.600346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.600346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.600346 (E_RNA)
where:
Base-Base interactions energy: -434.746
where: short stacking energy: -259.091
Base-Backbone interact. energy: -0.752
local terms energy: -400.102571
where:
bonds (distance) C4'-P energy: -87.371
bonds (distance) P-C4' energy: -101.345
flat angles C4'-P-C4' energy: -116.014
flat angles P-C4'-P energy: -78.987
tors. eta vs tors. theta energy: -16.386
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: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -671.419144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.419144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.419144 (E_RNA)
where:
Base-Base interactions energy: -326.201
where: short stacking energy: -221.462
Base-Backbone interact. energy: -1.768
local terms energy: -343.450098
where:
bonds (distance) C4'-P energy: -97.772
bonds (distance) P-C4' energy: -106.540
flat angles C4'-P-C4' energy: -88.829
flat angles P-C4'-P energy: -50.566
tors. eta vs tors. theta energy: 0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2123.402429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.402429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.402429 (E_RNA)
where:
Base-Base interactions energy: -1452.667
where: short stacking energy: -658.055
Base-Backbone interact. energy: 0.222
local terms energy: -670.957116
where:
bonds (distance) C4'-P energy: -144.993
bonds (distance) P-C4' energy: -140.332
flat angles C4'-P-C4' energy: -156.920
flat angles P-C4'-P energy: -90.795
tors. eta vs tors. theta energy: -137.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2047.157876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.157876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.157876 (E_RNA)
where:
Base-Base interactions energy: -1364.567
where: short stacking energy: -628.824
Base-Backbone interact. energy: -5.853
local terms energy: -676.737108
where:
bonds (distance) C4'-P energy: -143.106
bonds (distance) P-C4' energy: -130.269
flat angles C4'-P-C4' energy: -153.123
flat angles P-C4'-P energy: -87.824
tors. eta vs tors. theta energy: -162.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1925.557340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.557340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.557340 (E_RNA)
where:
Base-Base interactions energy: -1284.214
where: short stacking energy: -552.166
Base-Backbone interact. energy: -2.534
local terms energy: -638.809365
where:
bonds (distance) C4'-P energy: -138.914
bonds (distance) P-C4' energy: -112.841
flat angles C4'-P-C4' energy: -147.351
flat angles P-C4'-P energy: -96.928
tors. eta vs tors. theta energy: -142.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1910.083230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.083230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.083230 (E_RNA)
where:
Base-Base interactions energy: -1268.796
where: short stacking energy: -578.603
Base-Backbone interact. energy: -1.436
local terms energy: -639.851226
where:
bonds (distance) C4'-P energy: -132.490
bonds (distance) P-C4' energy: -138.234
flat angles C4'-P-C4' energy: -148.262
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -134.733
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: 7
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1884.996778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.996778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.996778 (E_RNA)
where:
Base-Base interactions energy: -1270.179
where: short stacking energy: -590.610
Base-Backbone interact. energy: -1.396
local terms energy: -613.421366
where:
bonds (distance) C4'-P energy: -118.605
bonds (distance) P-C4' energy: -113.584
flat angles C4'-P-C4' energy: -138.311
flat angles P-C4'-P energy: -92.183
tors. eta vs tors. theta energy: -150.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1500.743379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.743379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.743379 (E_RNA)
where:
Base-Base interactions energy: -935.616
where: short stacking energy: -452.884
Base-Backbone interact. energy: -0.399
local terms energy: -564.728438
where:
bonds (distance) C4'-P energy: -127.887
bonds (distance) P-C4' energy: -121.878
flat angles C4'-P-C4' energy: -144.257
flat angles P-C4'-P energy: -76.395
tors. eta vs tors. theta energy: -94.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1160.317300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.317300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.317300 (E_RNA)
where:
Base-Base interactions energy: -680.280
where: short stacking energy: -354.583
Base-Backbone interact. energy: 5.767
local terms energy: -485.803822
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -109.667
flat angles C4'-P-C4' energy: -133.551
flat angles P-C4'-P energy: -69.990
tors. eta vs tors. theta energy: -68.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1029.985532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.985532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.985532 (E_RNA)
where:
Base-Base interactions energy: -584.609
where: short stacking energy: -322.435
Base-Backbone interact. energy: 1.716
local terms energy: -447.092350
where:
bonds (distance) C4'-P energy: -122.155
bonds (distance) P-C4' energy: -106.663
flat angles C4'-P-C4' energy: -112.882
flat angles P-C4'-P energy: -77.441
tors. eta vs tors. theta energy: -27.951
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: 10
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -854.414643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.414643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.414643 (E_RNA)
where:
Base-Base interactions energy: -414.240
where: short stacking energy: -280.223
Base-Backbone interact. energy: 1.680
local terms energy: -441.853941
where:
bonds (distance) C4'-P energy: -116.491
bonds (distance) P-C4' energy: -119.052
flat angles C4'-P-C4' energy: -107.063
flat angles P-C4'-P energy: -65.907
tors. eta vs tors. theta energy: -33.341
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: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -707.627169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.627169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.627169 (E_RNA)
where:
Base-Base interactions energy: -310.664
where: short stacking energy: -177.980
Base-Backbone interact. energy: 2.640
local terms energy: -399.602647
where:
bonds (distance) C4'-P energy: -123.174
bonds (distance) P-C4' energy: -120.962
flat angles C4'-P-C4' energy: -105.198
flat angles P-C4'-P energy: -50.681
tors. eta vs tors. theta energy: 0.413
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: 30
Temperature: 0.900000
Total energy: -2145.857523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.857523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.857523 (E_RNA)
where:
Base-Base interactions energy: -1486.056
where: short stacking energy: -645.480
Base-Backbone interact. energy: -2.825
local terms energy: -656.976840
where:
bonds (distance) C4'-P energy: -133.709
bonds (distance) P-C4' energy: -135.080
flat angles C4'-P-C4' energy: -149.426
flat angles P-C4'-P energy: -88.026
tors. eta vs tors. theta energy: -150.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2068.209725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.209725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.209725 (E_RNA)
where:
Base-Base interactions energy: -1414.116
where: short stacking energy: -662.740
Base-Backbone interact. energy: -0.900
local terms energy: -653.194483
where:
bonds (distance) C4'-P energy: -125.947
bonds (distance) P-C4' energy: -132.906
flat angles C4'-P-C4' energy: -146.121
flat angles P-C4'-P energy: -88.673
tors. eta vs tors. theta energy: -159.548
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: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1992.067123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.067123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.067123 (E_RNA)
where:
Base-Base interactions energy: -1331.751
where: short stacking energy: -599.072
Base-Backbone interact. energy: -2.763
local terms energy: -657.552859
where:
bonds (distance) C4'-P energy: -134.285
bonds (distance) P-C4' energy: -135.695
flat angles C4'-P-C4' energy: -143.195
flat angles P-C4'-P energy: -89.816
tors. eta vs tors. theta energy: -154.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -2057.028873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.028873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.028873 (E_RNA)
where:
Base-Base interactions energy: -1425.804
where: short stacking energy: -593.621
Base-Backbone interact. energy: -1.868
local terms energy: -629.356858
where:
bonds (distance) C4'-P energy: -127.134
bonds (distance) P-C4' energy: -121.922
flat angles C4'-P-C4' energy: -145.734
flat angles P-C4'-P energy: -70.411
tors. eta vs tors. theta energy: -164.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1903.077199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.077199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.077199 (E_RNA)
where:
Base-Base interactions energy: -1280.521
where: short stacking energy: -580.017
Base-Backbone interact. energy: 0.411
local terms energy: -622.966944
where:
bonds (distance) C4'-P energy: -131.052
bonds (distance) P-C4' energy: -125.196
flat angles C4'-P-C4' energy: -131.426
flat angles P-C4'-P energy: -82.603
tors. eta vs tors. theta energy: -152.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1639.067821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.067821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.067821 (E_RNA)
where:
Base-Base interactions energy: -1082.334
where: short stacking energy: -495.896
Base-Backbone interact. energy: -2.838
local terms energy: -553.895770
where:
bonds (distance) C4'-P energy: -119.257
bonds (distance) P-C4' energy: -126.341
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -78.964
tors. eta vs tors. theta energy: -119.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1163.649681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.649681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.649681 (E_RNA)
where:
Base-Base interactions energy: -693.272
where: short stacking energy: -364.960
Base-Backbone interact. energy: -1.291
local terms energy: -469.086920
where:
bonds (distance) C4'-P energy: -112.183
bonds (distance) P-C4' energy: -122.748
flat angles C4'-P-C4' energy: -110.844
flat angles P-C4'-P energy: -77.222
tors. eta vs tors. theta energy: -46.091
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: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1020.064795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.064795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.064795 (E_RNA)
where:
Base-Base interactions energy: -589.458
where: short stacking energy: -313.480
Base-Backbone interact. energy: -1.200
local terms energy: -429.407322
where:
bonds (distance) C4'-P energy: -105.947
bonds (distance) P-C4' energy: -125.609
flat angles C4'-P-C4' energy: -98.201
flat angles P-C4'-P energy: -52.409
tors. eta vs tors. theta energy: -47.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -878.242367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.242367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.242367 (E_RNA)
where:
Base-Base interactions energy: -466.690
where: short stacking energy: -273.778
Base-Backbone interact. energy: 2.112
local terms energy: -413.663989
where:
bonds (distance) C4'-P energy: -80.886
bonds (distance) P-C4' energy: -126.587
flat angles C4'-P-C4' energy: -112.247
flat angles P-C4'-P energy: -61.674
tors. eta vs tors. theta energy: -32.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -726.883481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.883481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.883481 (E_RNA)
where:
Base-Base interactions energy: -331.415
where: short stacking energy: -204.102
Base-Backbone interact. energy: -0.220
local terms energy: -395.249035
where:
bonds (distance) C4'-P energy: -124.573
bonds (distance) P-C4' energy: -112.143
flat angles C4'-P-C4' energy: -85.951
flat angles P-C4'-P energy: -60.133
tors. eta vs tors. theta energy: -12.450
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: 9
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2139.705537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.705537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.705537 (E_RNA)
where:
Base-Base interactions energy: -1484.931
where: short stacking energy: -629.101
Base-Backbone interact. energy: 5.569
local terms energy: -660.343762
where:
bonds (distance) C4'-P energy: -133.122
bonds (distance) P-C4' energy: -134.864
flat angles C4'-P-C4' energy: -147.671
flat angles P-C4'-P energy: -100.545
tors. eta vs tors. theta energy: -144.141
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2081.121417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.121417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.121417 (E_RNA)
where:
Base-Base interactions energy: -1390.498
where: short stacking energy: -653.688
Base-Backbone interact. energy: -2.902
local terms energy: -687.721464
where:
bonds (distance) C4'-P energy: -135.764
bonds (distance) P-C4' energy: -149.220
flat angles C4'-P-C4' energy: -142.979
flat angles P-C4'-P energy: -98.490
tors. eta vs tors. theta energy: -161.268
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: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -2009.603043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.603043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.603043 (E_RNA)
where:
Base-Base interactions energy: -1362.985
where: short stacking energy: -600.052
Base-Backbone interact. energy: 1.150
local terms energy: -647.768148
where:
bonds (distance) C4'-P energy: -128.206
bonds (distance) P-C4' energy: -143.287
flat angles C4'-P-C4' energy: -140.913
flat angles P-C4'-P energy: -98.863
tors. eta vs tors. theta energy: -136.499
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: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -2082.851821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.851821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.851821 (E_RNA)
where:
Base-Base interactions energy: -1461.919
where: short stacking energy: -616.943
Base-Backbone interact. energy: -4.555
local terms energy: -616.377320
where:
bonds (distance) C4'-P energy: -129.788
bonds (distance) P-C4' energy: -118.305
flat angles C4'-P-C4' energy: -137.640
flat angles P-C4'-P energy: -83.219
tors. eta vs tors. theta energy: -147.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1945.157768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.157768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.157768 (E_RNA)
where:
Base-Base interactions energy: -1288.982
where: short stacking energy: -591.116
Base-Backbone interact. energy: -2.668
local terms energy: -653.507888
where:
bonds (distance) C4'-P energy: -124.590
bonds (distance) P-C4' energy: -132.727
flat angles C4'-P-C4' energy: -151.571
flat angles P-C4'-P energy: -91.203
tors. eta vs tors. theta energy: -153.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1585.585162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.585162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.585162 (E_RNA)
where:
Base-Base interactions energy: -1007.396
where: short stacking energy: -500.291
Base-Backbone interact. energy: -2.828
local terms energy: -575.360966
where:
bonds (distance) C4'-P energy: -105.971
bonds (distance) P-C4' energy: -147.178
flat angles C4'-P-C4' energy: -138.976
flat angles P-C4'-P energy: -70.654
tors. eta vs tors. theta energy: -112.582
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: 31
Temperature: 1.200000
Total energy: -1354.476806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.476806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.476806 (E_RNA)
where:
Base-Base interactions energy: -847.544
where: short stacking energy: -359.085
Base-Backbone interact. energy: -1.237
local terms energy: -505.695362
where:
bonds (distance) C4'-P energy: -106.992
bonds (distance) P-C4' energy: -120.784
flat angles C4'-P-C4' energy: -134.267
flat angles P-C4'-P energy: -72.435
tors. eta vs tors. theta energy: -71.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1049.914060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.914060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.914060 (E_RNA)
where:
Base-Base interactions energy: -594.181
where: short stacking energy: -315.921
Base-Backbone interact. energy: -1.384
local terms energy: -454.348856
where:
bonds (distance) C4'-P energy: -122.030
bonds (distance) P-C4' energy: -110.118
flat angles C4'-P-C4' energy: -106.716
flat angles P-C4'-P energy: -72.057
tors. eta vs tors. theta energy: -43.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -872.979475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.979475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.979475 (E_RNA)
where:
Base-Base interactions energy: -466.573
where: short stacking energy: -283.279
Base-Backbone interact. energy: -1.037
local terms energy: -405.369394
where:
bonds (distance) C4'-P energy: -120.949
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -86.482
flat angles P-C4'-P energy: -54.258
tors. eta vs tors. theta energy: -21.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -676.673596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.673596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.673596 (E_RNA)
where:
Base-Base interactions energy: -313.803
where: short stacking energy: -210.545
Base-Backbone interact. energy: -3.191
local terms energy: -359.679721
where:
bonds (distance) C4'-P energy: -88.485
bonds (distance) P-C4' energy: -126.658
flat angles C4'-P-C4' energy: -91.241
flat angles P-C4'-P energy: -49.939
tors. eta vs tors. theta energy: -3.357
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: 9
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2159.435926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.435926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.435926 (E_RNA)
where:
Base-Base interactions energy: -1476.613
where: short stacking energy: -614.331
Base-Backbone interact. energy: -7.366
local terms energy: -675.457388
where:
bonds (distance) C4'-P energy: -134.949
bonds (distance) P-C4' energy: -141.135
flat angles C4'-P-C4' energy: -151.061
flat angles P-C4'-P energy: -100.357
tors. eta vs tors. theta energy: -147.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2076.077700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.077700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.077700 (E_RNA)
where:
Base-Base interactions energy: -1380.637
where: short stacking energy: -652.325
Base-Backbone interact. energy: -2.798
local terms energy: -692.642036
where:
bonds (distance) C4'-P energy: -143.244
bonds (distance) P-C4' energy: -134.750
flat angles C4'-P-C4' energy: -146.474
flat angles P-C4'-P energy: -100.276
tors. eta vs tors. theta energy: -167.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -2137.048604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.048604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.048604 (E_RNA)
where:
Base-Base interactions energy: -1495.375
where: short stacking energy: -620.829
Base-Backbone interact. energy: -0.980
local terms energy: -640.693689
where:
bonds (distance) C4'-P energy: -118.844
bonds (distance) P-C4' energy: -128.410
flat angles C4'-P-C4' energy: -137.376
flat angles P-C4'-P energy: -96.250
tors. eta vs tors. theta energy: -159.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1909.784090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.784090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.784090 (E_RNA)
where:
Base-Base interactions energy: -1283.162
where: short stacking energy: -581.213
Base-Backbone interact. energy: -1.781
local terms energy: -624.840585
where:
bonds (distance) C4'-P energy: -123.369
bonds (distance) P-C4' energy: -129.660
flat angles C4'-P-C4' energy: -131.952
flat angles P-C4'-P energy: -94.371
tors. eta vs tors. theta energy: -145.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -2003.715709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.715709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.715709 (E_RNA)
where:
Base-Base interactions energy: -1357.532
where: short stacking energy: -622.122
Base-Backbone interact. energy: -0.995
local terms energy: -645.188089
where:
bonds (distance) C4'-P energy: -133.831
bonds (distance) P-C4' energy: -123.678
flat angles C4'-P-C4' energy: -133.564
flat angles P-C4'-P energy: -94.887
tors. eta vs tors. theta energy: -159.227
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: 32
Temperature: 1.150000
Total energy: -1575.043979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.043979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.043979 (E_RNA)
where:
Base-Base interactions energy: -1025.910
where: short stacking energy: -483.671
Base-Backbone interact. energy: 0.917
local terms energy: -550.050636
where:
bonds (distance) C4'-P energy: -112.347
bonds (distance) P-C4' energy: -127.791
flat angles C4'-P-C4' energy: -128.780
flat angles P-C4'-P energy: -79.541
tors. eta vs tors. theta energy: -101.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1262.195513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.195513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.195513 (E_RNA)
where:
Base-Base interactions energy: -801.379
where: short stacking energy: -378.246
Base-Backbone interact. energy: -1.162
local terms energy: -459.654556
where:
bonds (distance) C4'-P energy: -104.558
bonds (distance) P-C4' energy: -100.273
flat angles C4'-P-C4' energy: -129.807
flat angles P-C4'-P energy: -61.061
tors. eta vs tors. theta energy: -63.955
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: 8, replica: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -957.030398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.030398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.030398 (E_RNA)
where:
Base-Base interactions energy: -556.642
where: short stacking energy: -310.951
Base-Backbone interact. energy: -0.543
local terms energy: -399.845514
where:
bonds (distance) C4'-P energy: -116.747
bonds (distance) P-C4' energy: -94.226
flat angles C4'-P-C4' energy: -107.950
flat angles P-C4'-P energy: -52.875
tors. eta vs tors. theta energy: -28.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -904.323649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.323649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.323649 (E_RNA)
where:
Base-Base interactions energy: -477.098
where: short stacking energy: -272.222
Base-Backbone interact. energy: -3.074
local terms energy: -424.151972
where:
bonds (distance) C4'-P energy: -106.231
bonds (distance) P-C4' energy: -108.887
flat angles C4'-P-C4' energy: -109.167
flat angles P-C4'-P energy: -73.660
tors. eta vs tors. theta energy: -26.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -686.094322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.094322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.094322 (E_RNA)
where:
Base-Base interactions energy: -340.220
where: short stacking energy: -163.107
Base-Backbone interact. energy: 4.603
local terms energy: -350.477738
where:
bonds (distance) C4'-P energy: -101.078
bonds (distance) P-C4' energy: -106.718
flat angles C4'-P-C4' energy: -96.307
flat angles P-C4'-P energy: -61.256
tors. eta vs tors. theta energy: 14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -2166.183005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.183005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.183005 (E_RNA)
where:
Base-Base interactions energy: -1498.004
where: short stacking energy: -637.634
Base-Backbone interact. energy: -7.404
local terms energy: -660.774714
where:
bonds (distance) C4'-P energy: -123.983
bonds (distance) P-C4' energy: -146.081
flat angles C4'-P-C4' energy: -145.200
flat angles P-C4'-P energy: -94.003
tors. eta vs tors. theta energy: -151.508
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: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2236.957978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.957978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.957978 (E_RNA)
where:
Base-Base interactions energy: -1548.105
where: short stacking energy: -668.484
Base-Backbone interact. energy: -2.753
local terms energy: -686.099682
where:
bonds (distance) C4'-P energy: -135.615
bonds (distance) P-C4' energy: -130.611
flat angles C4'-P-C4' energy: -142.876
flat angles P-C4'-P energy: -93.480
tors. eta vs tors. theta energy: -183.519
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -2012.165315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.165315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.165315 (E_RNA)
where:
Base-Base interactions energy: -1349.522
where: short stacking energy: -602.610
Base-Backbone interact. energy: 0.266
local terms energy: -662.908831
where:
bonds (distance) C4'-P energy: -124.755
bonds (distance) P-C4' energy: -145.227
flat angles C4'-P-C4' energy: -145.281
flat angles P-C4'-P energy: -85.883
tors. eta vs tors. theta energy: -161.763
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: 7
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -2054.506347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.506347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.506347 (E_RNA)
where:
Base-Base interactions energy: -1384.036
where: short stacking energy: -629.522
Base-Backbone interact. energy: 2.915
local terms energy: -673.385485
where:
bonds (distance) C4'-P energy: -130.648
bonds (distance) P-C4' energy: -129.293
flat angles C4'-P-C4' energy: -149.949
flat angles P-C4'-P energy: -96.721
tors. eta vs tors. theta energy: -166.774
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: 4
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1772.289771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.289771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.289771 (E_RNA)
where:
Base-Base interactions energy: -1164.838
where: short stacking energy: -512.793
Base-Backbone interact. energy: -2.974
local terms energy: -604.477659
where:
bonds (distance) C4'-P energy: -130.459
bonds (distance) P-C4' energy: -122.762
flat angles C4'-P-C4' energy: -138.132
flat angles P-C4'-P energy: -87.092
tors. eta vs tors. theta energy: -126.033
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: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1583.314008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.314008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.314008 (E_RNA)
where:
Base-Base interactions energy: -1008.389
where: short stacking energy: -495.975
Base-Backbone interact. energy: -2.998
local terms energy: -571.926985
where:
bonds (distance) C4'-P energy: -126.057
bonds (distance) P-C4' energy: -134.541
flat angles C4'-P-C4' energy: -128.577
flat angles P-C4'-P energy: -72.037
tors. eta vs tors. theta energy: -110.715
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: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1294.282144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.282144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.282144 (E_RNA)
where:
Base-Base interactions energy: -809.685
where: short stacking energy: -365.227
Base-Backbone interact. energy: -6.234
local terms energy: -478.363825
where:
bonds (distance) C4'-P energy: -108.756
bonds (distance) P-C4' energy: -122.117
flat angles C4'-P-C4' energy: -119.787
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -57.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -956.229843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.229843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.229843 (E_RNA)
where:
Base-Base interactions energy: -557.366
where: short stacking energy: -262.715
Base-Backbone interact. energy: -2.460
local terms energy: -396.402975
where:
bonds (distance) C4'-P energy: -109.772
bonds (distance) P-C4' energy: -107.127
flat angles C4'-P-C4' energy: -110.851
flat angles P-C4'-P energy: -54.813
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -869.690770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.690770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.690770 (E_RNA)
where:
Base-Base interactions energy: -450.631
where: short stacking energy: -243.840
Base-Backbone interact. energy: -0.945
local terms energy: -418.114331
where:
bonds (distance) C4'-P energy: -103.216
bonds (distance) P-C4' energy: -114.425
flat angles C4'-P-C4' energy: -106.612
flat angles P-C4'-P energy: -75.376
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -694.517978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.517978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.517978 (E_RNA)
where:
Base-Base interactions energy: -335.996
where: short stacking energy: -203.761
Base-Backbone interact. energy: -1.929
local terms energy: -356.592527
where:
bonds (distance) C4'-P energy: -111.115
bonds (distance) P-C4' energy: -110.751
flat angles C4'-P-C4' energy: -91.510
flat angles P-C4'-P energy: -48.114
tors. eta vs tors. theta energy: 4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2292.009213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.009213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.009213 (E_RNA)
where:
Base-Base interactions energy: -1594.983
where: short stacking energy: -686.495
Base-Backbone interact. energy: -1.722
local terms energy: -695.304531
where:
bonds (distance) C4'-P energy: -135.669
bonds (distance) P-C4' energy: -142.288
flat angles C4'-P-C4' energy: -161.592
flat angles P-C4'-P energy: -86.115
tors. eta vs tors. theta energy: -169.641
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: 9
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2157.791157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.791157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.791157 (E_RNA)
where:
Base-Base interactions energy: -1520.899
where: short stacking energy: -633.295
Base-Backbone interact. energy: -4.026
local terms energy: -632.866171
where:
bonds (distance) C4'-P energy: -131.947
bonds (distance) P-C4' energy: -135.484
flat angles C4'-P-C4' energy: -141.950
flat angles P-C4'-P energy: -83.196
tors. eta vs tors. theta energy: -140.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -2126.231192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.231192 (E_RNA)
where:
Base-Base interactions energy: -1401.800
where: short stacking energy: -678.383
Base-Backbone interact. energy: 0.069
local terms energy: -724.499988
where:
bonds (distance) C4'-P energy: -121.744
bonds (distance) P-C4' energy: -137.743
flat angles C4'-P-C4' energy: -156.792
flat angles P-C4'-P energy: -113.384
tors. eta vs tors. theta energy: -194.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1971.359309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.359309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.359309 (E_RNA)
where:
Base-Base interactions energy: -1331.768
where: short stacking energy: -648.386
Base-Backbone interact. energy: -6.266
local terms energy: -633.325468
where:
bonds (distance) C4'-P energy: -130.113
bonds (distance) P-C4' energy: -117.129
flat angles C4'-P-C4' energy: -127.780
flat angles P-C4'-P energy: -93.072
tors. eta vs tors. theta energy: -165.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1809.497168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.497168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.497168 (E_RNA)
where:
Base-Base interactions energy: -1207.846
where: short stacking energy: -492.057
Base-Backbone interact. energy: -3.722
local terms energy: -597.930013
where:
bonds (distance) C4'-P energy: -126.814
bonds (distance) P-C4' energy: -117.227
flat angles C4'-P-C4' energy: -134.850
flat angles P-C4'-P energy: -91.245
tors. eta vs tors. theta energy: -127.795
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: 34
Temperature: 1.150000
Total energy: -1566.454996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.454996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.454996 (E_RNA)
where:
Base-Base interactions energy: -1009.783
where: short stacking energy: -484.226
Base-Backbone interact. energy: -4.860
local terms energy: -551.811451
where:
bonds (distance) C4'-P energy: -125.579
bonds (distance) P-C4' energy: -108.609
flat angles C4'-P-C4' energy: -135.926
flat angles P-C4'-P energy: -61.777
tors. eta vs tors. theta energy: -119.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1270.387934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.387934 (E_RNA)
where:
Base-Base interactions energy: -813.125
where: short stacking energy: -361.891
Base-Backbone interact. energy: -2.319
local terms energy: -454.943940
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -118.138
flat angles C4'-P-C4' energy: -118.019
flat angles P-C4'-P energy: -63.851
tors. eta vs tors. theta energy: -56.568
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: 8, replica: 10
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1107.418690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.418690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.418690 (E_RNA)
where:
Base-Base interactions energy: -625.182
where: short stacking energy: -304.390
Base-Backbone interact. energy: 6.367
local terms energy: -488.604057
where:
bonds (distance) C4'-P energy: -122.398
bonds (distance) P-C4' energy: -129.224
flat angles C4'-P-C4' energy: -131.810
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -33.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -865.244726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.244726 (E_RNA)
where:
Base-Base interactions energy: -442.660
where: short stacking energy: -268.007
Base-Backbone interact. energy: -3.675
local terms energy: -418.910138
where:
bonds (distance) C4'-P energy: -109.708
bonds (distance) P-C4' energy: -127.862
flat angles C4'-P-C4' energy: -101.447
flat angles P-C4'-P energy: -59.123
tors. eta vs tors. theta energy: -20.769
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: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -752.998659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.998659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.998659 (E_RNA)
where:
Base-Base interactions energy: -385.565
where: short stacking energy: -234.099
Base-Backbone interact. energy: -1.166
local terms energy: -366.267462
where:
bonds (distance) C4'-P energy: -118.219
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -102.960
flat angles P-C4'-P energy: -34.865
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -2311.619418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.619418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.619418 (E_RNA)
where:
Base-Base interactions energy: -1631.358
where: short stacking energy: -654.464
Base-Backbone interact. energy: -3.240
local terms energy: -677.021446
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -141.208
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -92.539
tors. eta vs tors. theta energy: -164.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2148.085463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.085463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.085463 (E_RNA)
where:
Base-Base interactions energy: -1490.618
where: short stacking energy: -607.429
Base-Backbone interact. energy: -1.063
local terms energy: -656.404648
where:
bonds (distance) C4'-P energy: -130.847
bonds (distance) P-C4' energy: -146.943
flat angles C4'-P-C4' energy: -148.442
flat angles P-C4'-P energy: -90.076
tors. eta vs tors. theta energy: -140.096
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: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -2126.566272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.566272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.566272 (E_RNA)
where:
Base-Base interactions energy: -1441.417
where: short stacking energy: -677.361
Base-Backbone interact. energy: -0.793
local terms energy: -684.355576
where:
bonds (distance) C4'-P energy: -136.868
bonds (distance) P-C4' energy: -122.179
flat angles C4'-P-C4' energy: -136.248
flat angles P-C4'-P energy: -91.649
tors. eta vs tors. theta energy: -197.410
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1940.337957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.337957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.337957 (E_RNA)
where:
Base-Base interactions energy: -1314.743
where: short stacking energy: -600.545
Base-Backbone interact. energy: -6.035
local terms energy: -619.560278
where:
bonds (distance) C4'-P energy: -122.494
bonds (distance) P-C4' energy: -128.356
flat angles C4'-P-C4' energy: -147.813
flat angles P-C4'-P energy: -78.311
tors. eta vs tors. theta energy: -142.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1811.003627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.003627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.003627 (E_RNA)
where:
Base-Base interactions energy: -1228.888
where: short stacking energy: -540.899
Base-Backbone interact. energy: 1.294
local terms energy: -583.409182
where:
bonds (distance) C4'-P energy: -111.282
bonds (distance) P-C4' energy: -121.731
flat angles C4'-P-C4' energy: -141.300
flat angles P-C4'-P energy: -77.146
tors. eta vs tors. theta energy: -131.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1535.613588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.613588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.613588 (E_RNA)
where:
Base-Base interactions energy: -977.770
where: short stacking energy: -480.296
Base-Backbone interact. energy: -1.876
local terms energy: -555.968086
where:
bonds (distance) C4'-P energy: -106.052
bonds (distance) P-C4' energy: -109.692
flat angles C4'-P-C4' energy: -134.998
flat angles P-C4'-P energy: -89.344
tors. eta vs tors. theta energy: -115.883
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: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1236.983181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.983181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.983181 (E_RNA)
where:
Base-Base interactions energy: -805.868
where: short stacking energy: -366.256
Base-Backbone interact. energy: -0.022
local terms energy: -431.092831
where:
bonds (distance) C4'-P energy: -90.363
bonds (distance) P-C4' energy: -109.793
flat angles C4'-P-C4' energy: -121.253
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -37.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1118.149574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.149574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.149574 (E_RNA)
where:
Base-Base interactions energy: -676.946
where: short stacking energy: -352.847
Base-Backbone interact. energy: -0.453
local terms energy: -440.751117
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -113.453
flat angles C4'-P-C4' energy: -100.337
flat angles P-C4'-P energy: -76.737
tors. eta vs tors. theta energy: -51.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -857.442318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.442318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.442318 (E_RNA)
where:
Base-Base interactions energy: -454.134
where: short stacking energy: -243.560
Base-Backbone interact. energy: 1.117
local terms energy: -404.425490
where:
bonds (distance) C4'-P energy: -90.680
bonds (distance) P-C4' energy: -116.647
flat angles C4'-P-C4' energy: -94.812
flat angles P-C4'-P energy: -83.899
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -687.149566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.149566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.149566 (E_RNA)
where:
Base-Base interactions energy: -319.580
where: short stacking energy: -201.350
Base-Backbone interact. energy: 6.544
local terms energy: -374.112959
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -113.698
flat angles C4'-P-C4' energy: -104.033
flat angles P-C4'-P energy: -52.811
tors. eta vs tors. theta energy: 4.212
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: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2317.467476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.467476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.467476 (E_RNA)
where:
Base-Base interactions energy: -1614.508
where: short stacking energy: -672.682
Base-Backbone interact. energy: -0.736
local terms energy: -702.223120
where:
bonds (distance) C4'-P energy: -135.733
bonds (distance) P-C4' energy: -143.801
flat angles C4'-P-C4' energy: -158.928
flat angles P-C4'-P energy: -89.822
tors. eta vs tors. theta energy: -173.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2154.879007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.879007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.879007 (E_RNA)
where:
Base-Base interactions energy: -1519.321
where: short stacking energy: -600.681
Base-Backbone interact. energy: -5.507
local terms energy: -630.051738
where:
bonds (distance) C4'-P energy: -107.805
bonds (distance) P-C4' energy: -142.185
flat angles C4'-P-C4' energy: -140.707
flat angles P-C4'-P energy: -101.827
tors. eta vs tors. theta energy: -137.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -2136.986816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.986816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.986816 (E_RNA)
where:
Base-Base interactions energy: -1437.460
where: short stacking energy: -671.118
Base-Backbone interact. energy: -1.162
local terms energy: -698.365108
where:
bonds (distance) C4'-P energy: -132.971
bonds (distance) P-C4' energy: -133.874
flat angles C4'-P-C4' energy: -146.418
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -186.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1948.487652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.487652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.487652 (E_RNA)
where:
Base-Base interactions energy: -1306.331
where: short stacking energy: -600.924
Base-Backbone interact. energy: -4.541
local terms energy: -637.616074
where:
bonds (distance) C4'-P energy: -126.139
bonds (distance) P-C4' energy: -135.522
flat angles C4'-P-C4' energy: -137.008
flat angles P-C4'-P energy: -88.958
tors. eta vs tors. theta energy: -149.988
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: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1830.097603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.097603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.097603 (E_RNA)
where:
Base-Base interactions energy: -1232.142
where: short stacking energy: -541.513
Base-Backbone interact. energy: -3.982
local terms energy: -593.973612
where:
bonds (distance) C4'-P energy: -126.603
bonds (distance) P-C4' energy: -113.907
flat angles C4'-P-C4' energy: -134.503
flat angles P-C4'-P energy: -89.290
tors. eta vs tors. theta energy: -129.671
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: 36
Temperature: 1.150000
Total energy: -1547.532622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.532622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.532622 (E_RNA)
where:
Base-Base interactions energy: -975.833
where: short stacking energy: -493.804
Base-Backbone interact. energy: -0.793
local terms energy: -570.907280
where:
bonds (distance) C4'-P energy: -109.795
bonds (distance) P-C4' energy: -136.570
flat angles C4'-P-C4' energy: -131.485
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -115.425
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1298.593797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.593797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.593797 (E_RNA)
where:
Base-Base interactions energy: -796.259
where: short stacking energy: -398.896
Base-Backbone interact. energy: 3.070
local terms energy: -505.404780
where:
bonds (distance) C4'-P energy: -113.996
bonds (distance) P-C4' energy: -134.388
flat angles C4'-P-C4' energy: -123.792
flat angles P-C4'-P energy: -62.320
tors. eta vs tors. theta energy: -70.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1072.602638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.602638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.602638 (E_RNA)
where:
Base-Base interactions energy: -617.543
where: short stacking energy: -320.462
Base-Backbone interact. energy: -1.935
local terms energy: -453.125114
where:
bonds (distance) C4'-P energy: -115.592
bonds (distance) P-C4' energy: -116.622
flat angles C4'-P-C4' energy: -114.623
flat angles P-C4'-P energy: -48.343
tors. eta vs tors. theta energy: -57.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -900.345193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.345193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.345193 (E_RNA)
where:
Base-Base interactions energy: -462.105
where: short stacking energy: -275.137
Base-Backbone interact. energy: 3.063
local terms energy: -441.303351
where:
bonds (distance) C4'-P energy: -113.551
bonds (distance) P-C4' energy: -117.962
flat angles C4'-P-C4' energy: -109.692
flat angles P-C4'-P energy: -69.115
tors. eta vs tors. theta energy: -30.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -730.017728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.017728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.017728 (E_RNA)
where:
Base-Base interactions energy: -341.617
where: short stacking energy: -203.734
Base-Backbone interact. energy: 3.248
local terms energy: -391.649476
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -113.413
flat angles C4'-P-C4' energy: -93.081
flat angles P-C4'-P energy: -67.960
tors. eta vs tors. theta energy: 2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2326.243705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.243705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.243705 (E_RNA)
where:
Base-Base interactions energy: -1626.374
where: short stacking energy: -683.187
Base-Backbone interact. energy: -1.167
local terms energy: -698.702881
where:
bonds (distance) C4'-P energy: -143.583
bonds (distance) P-C4' energy: -145.478
flat angles C4'-P-C4' energy: -142.127
flat angles P-C4'-P energy: -103.369
tors. eta vs tors. theta energy: -164.146
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: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2148.439514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.439514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.439514 (E_RNA)
where:
Base-Base interactions energy: -1490.542
where: short stacking energy: -597.183
Base-Backbone interact. energy: -3.559
local terms energy: -654.339187
where:
bonds (distance) C4'-P energy: -133.018
bonds (distance) P-C4' energy: -144.298
flat angles C4'-P-C4' energy: -151.453
flat angles P-C4'-P energy: -81.128
tors. eta vs tors. theta energy: -144.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -2157.935668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.935668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.935668 (E_RNA)
where:
Base-Base interactions energy: -1466.123
where: short stacking energy: -695.515
Base-Backbone interact. energy: -3.379
local terms energy: -688.433234
where:
bonds (distance) C4'-P energy: -119.850
bonds (distance) P-C4' energy: -125.728
flat angles C4'-P-C4' energy: -154.995
flat angles P-C4'-P energy: -99.432
tors. eta vs tors. theta energy: -188.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1922.172173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.172173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.172173 (E_RNA)
where:
Base-Base interactions energy: -1296.477
where: short stacking energy: -588.073
Base-Backbone interact. energy: -1.063
local terms energy: -624.632459
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -119.349
flat angles C4'-P-C4' energy: -152.308
flat angles P-C4'-P energy: -83.224
tors. eta vs tors. theta energy: -143.710
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: 37
Temperature: 1.100000
Total energy: -1777.883417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.883417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.883417 (E_RNA)
where:
Base-Base interactions energy: -1208.588
where: short stacking energy: -542.169
Base-Backbone interact. energy: -1.378
local terms energy: -567.917869
where:
bonds (distance) C4'-P energy: -107.477
bonds (distance) P-C4' energy: -118.567
flat angles C4'-P-C4' energy: -132.665
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -130.392
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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1610.482197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.482197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.482197 (E_RNA)
where:
Base-Base interactions energy: -1022.690
where: short stacking energy: -497.897
Base-Backbone interact. energy: -3.583
local terms energy: -584.208314
where:
bonds (distance) C4'-P energy: -107.701
bonds (distance) P-C4' energy: -128.507
flat angles C4'-P-C4' energy: -127.675
flat angles P-C4'-P energy: -96.194
tors. eta vs tors. theta energy: -124.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1377.052916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.052916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.052916 (E_RNA)
where:
Base-Base interactions energy: -860.767
where: short stacking energy: -412.372
Base-Backbone interact. energy: 3.668
local terms energy: -519.953763
where:
bonds (distance) C4'-P energy: -129.383
bonds (distance) P-C4' energy: -120.164
flat angles C4'-P-C4' energy: -133.835
flat angles P-C4'-P energy: -49.657
tors. eta vs tors. theta energy: -86.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1104.971703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.971703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.971703 (E_RNA)
where:
Base-Base interactions energy: -669.456
where: short stacking energy: -323.197
Base-Backbone interact. energy: 6.902
local terms energy: -442.417679
where:
bonds (distance) C4'-P energy: -122.120
bonds (distance) P-C4' energy: -111.036
flat angles C4'-P-C4' energy: -90.403
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -49.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -882.819444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.819444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.819444 (E_RNA)
where:
Base-Base interactions energy: -479.746
where: short stacking energy: -280.383
Base-Backbone interact. energy: 0.504
local terms energy: -403.577288
where:
bonds (distance) C4'-P energy: -102.965
bonds (distance) P-C4' energy: -121.181
flat angles C4'-P-C4' energy: -79.116
flat angles P-C4'-P energy: -68.173
tors. eta vs tors. theta energy: -32.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -688.211706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.211706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.211706 (E_RNA)
where:
Base-Base interactions energy: -310.266
where: short stacking energy: -182.438
Base-Backbone interact. energy: 1.280
local terms energy: -379.225792
where:
bonds (distance) C4'-P energy: -113.013
bonds (distance) P-C4' energy: -121.837
flat angles C4'-P-C4' energy: -106.553
flat angles P-C4'-P energy: -63.722
tors. eta vs tors. theta energy: 25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -2361.432934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.432934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.432934 (E_RNA)
where:
Base-Base interactions energy: -1641.816
where: short stacking energy: -679.477
Base-Backbone interact. energy: -3.365
local terms energy: -716.252076
where:
bonds (distance) C4'-P energy: -145.807
bonds (distance) P-C4' energy: -137.371
flat angles C4'-P-C4' energy: -153.639
flat angles P-C4'-P energy: -109.671
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: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2159.967251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.967251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.967251 (E_RNA)
where:
Base-Base interactions energy: -1500.459
where: short stacking energy: -587.642
Base-Backbone interact. energy: -6.217
local terms energy: -653.291076
where:
bonds (distance) C4'-P energy: -137.146
bonds (distance) P-C4' energy: -123.539
flat angles C4'-P-C4' energy: -151.114
flat angles P-C4'-P energy: -99.902
tors. eta vs tors. theta energy: -141.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2154.683475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.683475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.683475 (E_RNA)
where:
Base-Base interactions energy: -1465.923
where: short stacking energy: -672.046
Base-Backbone interact. energy: -1.670
local terms energy: -687.090479
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -136.698
flat angles C4'-P-C4' energy: -153.661
flat angles P-C4'-P energy: -84.523
tors. eta vs tors. theta energy: -179.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1934.033981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.033981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.033981 (E_RNA)
where:
Base-Base interactions energy: -1323.813
where: short stacking energy: -609.686
Base-Backbone interact. energy: -0.986
local terms energy: -609.234746
where:
bonds (distance) C4'-P energy: -128.707
bonds (distance) P-C4' energy: -121.251
flat angles C4'-P-C4' energy: -134.899
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -139.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1875.546219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.546219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.546219 (E_RNA)
where:
Base-Base interactions energy: -1245.962
where: short stacking energy: -556.944
Base-Backbone interact. energy: -2.358
local terms energy: -627.226532
where:
bonds (distance) C4'-P energy: -119.249
bonds (distance) P-C4' energy: -128.089
flat angles C4'-P-C4' energy: -146.675
flat angles P-C4'-P energy: -93.127
tors. eta vs tors. theta energy: -140.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1591.533676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.533676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.533676 (E_RNA)
where:
Base-Base interactions energy: -1013.322
where: short stacking energy: -489.792
Base-Backbone interact. energy: 3.656
local terms energy: -581.868029
where:
bonds (distance) C4'-P energy: -121.572
bonds (distance) P-C4' energy: -126.318
flat angles C4'-P-C4' energy: -122.055
flat angles P-C4'-P energy: -91.868
tors. eta vs tors. theta energy: -120.055
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1378.339309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.339309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.339309 (E_RNA)
where:
Base-Base interactions energy: -886.977
where: short stacking energy: -414.118
Base-Backbone interact. energy: 1.757
local terms energy: -493.119428
where:
bonds (distance) C4'-P energy: -124.732
bonds (distance) P-C4' energy: -101.591
flat angles C4'-P-C4' energy: -123.377
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1146.997028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.997028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.997028 (E_RNA)
where:
Base-Base interactions energy: -664.148
where: short stacking energy: -335.601
Base-Backbone interact. energy: 1.953
local terms energy: -484.802306
where:
bonds (distance) C4'-P energy: -120.914
bonds (distance) P-C4' energy: -119.702
flat angles C4'-P-C4' energy: -121.532
flat angles P-C4'-P energy: -64.951
tors. eta vs tors. theta energy: -57.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -891.477278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.477278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.477278 (E_RNA)
where:
Base-Base interactions energy: -483.016
where: short stacking energy: -275.585
Base-Backbone interact. energy: 2.523
local terms energy: -410.984433
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -113.946
flat angles C4'-P-C4' energy: -113.851
flat angles P-C4'-P energy: -49.229
tors. eta vs tors. theta energy: -31.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -677.261818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.261818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.261818 (E_RNA)
where:
Base-Base interactions energy: -284.952
where: short stacking energy: -199.557
Base-Backbone interact. energy: 0.637
local terms energy: -392.947072
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -126.928
flat angles C4'-P-C4' energy: -105.962
flat angles P-C4'-P energy: -61.178
tors. eta vs tors. theta energy: 18.987
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: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2350.820901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.820901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.820901 (E_RNA)
where:
Base-Base interactions energy: -1644.656
where: short stacking energy: -690.457
Base-Backbone interact. energy: -3.511
local terms energy: -702.653553
where:
bonds (distance) C4'-P energy: -128.529
bonds (distance) P-C4' energy: -139.545
flat angles C4'-P-C4' energy: -159.889
flat angles P-C4'-P energy: -96.533
tors. eta vs tors. theta energy: -178.157
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2119.958854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.958854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.958854 (E_RNA)
where:
Base-Base interactions energy: -1507.345
where: short stacking energy: -575.601
Base-Backbone interact. energy: -2.514
local terms energy: -610.099279
where:
bonds (distance) C4'-P energy: -121.412
bonds (distance) P-C4' energy: -137.073
flat angles C4'-P-C4' energy: -137.450
flat angles P-C4'-P energy: -85.232
tors. eta vs tors. theta energy: -128.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -2179.896263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.896263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.896263 (E_RNA)
where:
Base-Base interactions energy: -1468.355
where: short stacking energy: -701.274
Base-Backbone interact. energy: -1.286
local terms energy: -710.254548
where:
bonds (distance) C4'-P energy: -130.133
bonds (distance) P-C4' energy: -138.928
flat angles C4'-P-C4' energy: -157.437
flat angles P-C4'-P energy: -91.928
tors. eta vs tors. theta energy: -191.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1878.505447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.505447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.505447 (E_RNA)
where:
Base-Base interactions energy: -1237.107
where: short stacking energy: -573.977
Base-Backbone interact. energy: -1.102
local terms energy: -640.296227
where:
bonds (distance) C4'-P energy: -134.360
bonds (distance) P-C4' energy: -129.719
flat angles C4'-P-C4' energy: -142.430
flat angles P-C4'-P energy: -81.000
tors. eta vs tors. theta energy: -152.787
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: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1821.529960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.529960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.529960 (E_RNA)
where:
Base-Base interactions energy: -1254.753
where: short stacking energy: -513.687
Base-Backbone interact. energy: -1.891
local terms energy: -564.886626
where:
bonds (distance) C4'-P energy: -121.204
bonds (distance) P-C4' energy: -117.575
flat angles C4'-P-C4' energy: -126.040
flat angles P-C4'-P energy: -73.587
tors. eta vs tors. theta energy: -126.480
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: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1596.693786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.693786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.693786 (E_RNA)
where:
Base-Base interactions energy: -1022.306
where: short stacking energy: -491.382
Base-Backbone interact. energy: 1.086
local terms energy: -575.473842
where:
bonds (distance) C4'-P energy: -115.950
bonds (distance) P-C4' energy: -126.737
flat angles C4'-P-C4' energy: -130.997
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -119.233
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: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1438.347472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.347472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.347472 (E_RNA)
where:
Base-Base interactions energy: -955.264
where: short stacking energy: -433.997
Base-Backbone interact. energy: 1.455
local terms energy: -484.538564
where:
bonds (distance) C4'-P energy: -117.034
bonds (distance) P-C4' energy: -114.463
flat angles C4'-P-C4' energy: -118.412
flat angles P-C4'-P energy: -48.328
tors. eta vs tors. theta energy: -86.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1105.686601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.686601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.686601 (E_RNA)
where:
Base-Base interactions energy: -640.192
where: short stacking energy: -326.676
Base-Backbone interact. energy: 1.724
local terms energy: -467.218027
where:
bonds (distance) C4'-P energy: -87.421
bonds (distance) P-C4' energy: -130.376
flat angles C4'-P-C4' energy: -120.215
flat angles P-C4'-P energy: -58.774
tors. eta vs tors. theta energy: -70.432
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: 1
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -990.018475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.018475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.018475 (E_RNA)
where:
Base-Base interactions energy: -575.716
where: short stacking energy: -296.022
Base-Backbone interact. energy: -2.934
local terms energy: -411.368238
where:
bonds (distance) C4'-P energy: -114.224
bonds (distance) P-C4' energy: -99.300
flat angles C4'-P-C4' energy: -105.274
flat angles P-C4'-P energy: -52.704
tors. eta vs tors. theta energy: -39.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -705.187781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.187781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.187781 (E_RNA)
where:
Base-Base interactions energy: -339.031
where: short stacking energy: -207.150
Base-Backbone interact. energy: 3.475
local terms energy: -369.631768
where:
bonds (distance) C4'-P energy: -110.081
bonds (distance) P-C4' energy: -105.187
flat angles C4'-P-C4' energy: -97.969
flat angles P-C4'-P energy: -52.040
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2347.721846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.721846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.721846 (E_RNA)
where:
Base-Base interactions energy: -1626.222
where: short stacking energy: -671.776
Base-Backbone interact. energy: -1.595
local terms energy: -719.905038
where:
bonds (distance) C4'-P energy: -142.099
bonds (distance) P-C4' energy: -134.797
flat angles C4'-P-C4' energy: -159.436
flat angles P-C4'-P energy: -106.776
tors. eta vs tors. theta energy: -176.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2147.784874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.784874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.784874 (E_RNA)
where:
Base-Base interactions energy: -1506.051
where: short stacking energy: -599.246
Base-Backbone interact. energy: -4.727
local terms energy: -637.006096
where:
bonds (distance) C4'-P energy: -133.144
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -139.326
flat angles P-C4'-P energy: -89.014
tors. eta vs tors. theta energy: -137.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -2183.489853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.489853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.489853 (E_RNA)
where:
Base-Base interactions energy: -1496.354
where: short stacking energy: -658.187
Base-Backbone interact. energy: -1.205
local terms energy: -685.930716
where:
bonds (distance) C4'-P energy: -128.820
bonds (distance) P-C4' energy: -133.043
flat angles C4'-P-C4' energy: -160.993
flat angles P-C4'-P energy: -86.474
tors. eta vs tors. theta energy: -176.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1860.760325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.760325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.760325 (E_RNA)
where:
Base-Base interactions energy: -1214.883
where: short stacking energy: -563.606
Base-Backbone interact. energy: -4.729
local terms energy: -641.147724
where:
bonds (distance) C4'-P energy: -129.394
bonds (distance) P-C4' energy: -130.136
flat angles C4'-P-C4' energy: -139.765
flat angles P-C4'-P energy: -99.583
tors. eta vs tors. theta energy: -142.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1801.496157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.496157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.496157 (E_RNA)
where:
Base-Base interactions energy: -1218.641
where: short stacking energy: -520.809
Base-Backbone interact. energy: 1.641
local terms energy: -584.495749
where:
bonds (distance) C4'-P energy: -127.176
bonds (distance) P-C4' energy: -119.148
flat angles C4'-P-C4' energy: -137.401
flat angles P-C4'-P energy: -82.556
tors. eta vs tors. theta energy: -118.214
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: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1592.435838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.435838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.435838 (E_RNA)
where:
Base-Base interactions energy: -1026.842
where: short stacking energy: -491.828
Base-Backbone interact. energy: 0.809
local terms energy: -566.403101
where:
bonds (distance) C4'-P energy: -120.241
bonds (distance) P-C4' energy: -107.114
flat angles C4'-P-C4' energy: -118.739
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -123.453
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1364.921389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.921389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.921389 (E_RNA)
where:
Base-Base interactions energy: -874.803
where: short stacking energy: -412.640
Base-Backbone interact. energy: 0.365
local terms energy: -490.482964
where:
bonds (distance) C4'-P energy: -106.997
bonds (distance) P-C4' energy: -117.952
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -61.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1163.362391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.362391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.362391 (E_RNA)
where:
Base-Base interactions energy: -679.914
where: short stacking energy: -352.966
Base-Backbone interact. energy: -1.668
local terms energy: -481.780556
where:
bonds (distance) C4'-P energy: -116.448
bonds (distance) P-C4' energy: -105.219
flat angles C4'-P-C4' energy: -113.450
flat angles P-C4'-P energy: -85.369
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -918.920858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.920858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.920858 (E_RNA)
where:
Base-Base interactions energy: -520.433
where: short stacking energy: -286.386
Base-Backbone interact. energy: 4.787
local terms energy: -403.274130
where:
bonds (distance) C4'-P energy: -125.838
bonds (distance) P-C4' energy: -108.519
flat angles C4'-P-C4' energy: -95.856
flat angles P-C4'-P energy: -45.306
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -738.402048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.402048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.402048 (E_RNA)
where:
Base-Base interactions energy: -368.223
where: short stacking energy: -222.992
Base-Backbone interact. energy: -0.345
local terms energy: -369.833976
where:
bonds (distance) C4'-P energy: -104.455
bonds (distance) P-C4' energy: -128.676
flat angles C4'-P-C4' energy: -94.449
flat angles P-C4'-P energy: -54.844
tors. eta vs tors. theta energy: 12.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2314.703542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.703542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.703542 (E_RNA)
where:
Base-Base interactions energy: -1622.910
where: short stacking energy: -678.559
Base-Backbone interact. energy: -2.690
local terms energy: -689.102890
where:
bonds (distance) C4'-P energy: -131.575
bonds (distance) P-C4' energy: -139.963
flat angles C4'-P-C4' energy: -143.385
flat angles P-C4'-P energy: -97.935
tors. eta vs tors. theta energy: -176.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2244.468767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.468767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.468767 (E_RNA)
where:
Base-Base interactions energy: -1540.342
where: short stacking energy: -688.212
Base-Backbone interact. energy: -0.175
local terms energy: -703.952025
where:
bonds (distance) C4'-P energy: -120.808
bonds (distance) P-C4' energy: -143.494
flat angles C4'-P-C4' energy: -162.252
flat angles P-C4'-P energy: -93.229
tors. eta vs tors. theta energy: -184.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -2074.967927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.967927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.967927 (E_RNA)
where:
Base-Base interactions energy: -1441.351
where: short stacking energy: -561.289
Base-Backbone interact. energy: -4.936
local terms energy: -628.681560
where:
bonds (distance) C4'-P energy: -120.772
bonds (distance) P-C4' energy: -148.448
flat angles C4'-P-C4' energy: -138.357
flat angles P-C4'-P energy: -88.169
tors. eta vs tors. theta energy: -132.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1849.085718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.085718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.085718 (E_RNA)
where:
Base-Base interactions energy: -1245.237
where: short stacking energy: -554.130
Base-Backbone interact. energy: 0.791
local terms energy: -604.640050
where:
bonds (distance) C4'-P energy: -123.690
bonds (distance) P-C4' energy: -127.350
flat angles C4'-P-C4' energy: -132.575
flat angles P-C4'-P energy: -89.797
tors. eta vs tors. theta energy: -131.229
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: 41
Temperature: 1.100000
Total energy: -1814.824410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.824410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.824410 (E_RNA)
where:
Base-Base interactions energy: -1215.562
where: short stacking energy: -538.981
Base-Backbone interact. energy: -1.972
local terms energy: -597.290522
where:
bonds (distance) C4'-P energy: -118.395
bonds (distance) P-C4' energy: -125.789
flat angles C4'-P-C4' energy: -126.565
flat angles P-C4'-P energy: -91.317
tors. eta vs tors. theta energy: -135.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1684.579606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.579606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.579606 (E_RNA)
where:
Base-Base interactions energy: -1078.257
where: short stacking energy: -518.561
Base-Backbone interact. energy: -0.963
local terms energy: -605.360263
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -124.183
flat angles C4'-P-C4' energy: -144.682
flat angles P-C4'-P energy: -82.227
tors. eta vs tors. theta energy: -128.231
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1427.716754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.716754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.716754 (E_RNA)
where:
Base-Base interactions energy: -895.791
where: short stacking energy: -413.368
Base-Backbone interact. energy: -2.749
local terms energy: -529.176293
where:
bonds (distance) C4'-P energy: -124.882
bonds (distance) P-C4' energy: -117.313
flat angles C4'-P-C4' energy: -122.778
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -85.706
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: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1200.912940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.912940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.912940 (E_RNA)
where:
Base-Base interactions energy: -721.163
where: short stacking energy: -374.731
Base-Backbone interact. energy: -0.559
local terms energy: -479.190699
where:
bonds (distance) C4'-P energy: -102.046
bonds (distance) P-C4' energy: -115.414
flat angles C4'-P-C4' energy: -118.295
flat angles P-C4'-P energy: -76.255
tors. eta vs tors. theta energy: -67.181
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: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -924.259131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.259131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.259131 (E_RNA)
where:
Base-Base interactions energy: -501.031
where: short stacking energy: -271.748
Base-Backbone interact. energy: -2.772
local terms energy: -420.455815
where:
bonds (distance) C4'-P energy: -114.011
bonds (distance) P-C4' energy: -122.815
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -702.831727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.831727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.831727 (E_RNA)
where:
Base-Base interactions energy: -300.521
where: short stacking energy: -201.314
Base-Backbone interact. energy: -0.398
local terms energy: -401.912751
where:
bonds (distance) C4'-P energy: -113.731
bonds (distance) P-C4' energy: -109.622
flat angles C4'-P-C4' energy: -108.496
flat angles P-C4'-P energy: -58.955
tors. eta vs tors. theta energy: -11.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2340.018331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.018331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.018331 (E_RNA)
where:
Base-Base interactions energy: -1638.675
where: short stacking energy: -686.859
Base-Backbone interact. energy: -0.653
local terms energy: -700.689988
where:
bonds (distance) C4'-P energy: -136.488
bonds (distance) P-C4' energy: -144.443
flat angles C4'-P-C4' energy: -148.880
flat angles P-C4'-P energy: -104.351
tors. eta vs tors. theta energy: -166.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2273.753280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.753280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.753280 (E_RNA)
where:
Base-Base interactions energy: -1560.936
where: short stacking energy: -692.224
Base-Backbone interact. energy: -0.417
local terms energy: -712.400257
where:
bonds (distance) C4'-P energy: -144.832
bonds (distance) P-C4' energy: -137.326
flat angles C4'-P-C4' energy: -151.739
flat angles P-C4'-P energy: -101.233
tors. eta vs tors. theta energy: -177.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -2109.087440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.087440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.087440 (E_RNA)
where:
Base-Base interactions energy: -1481.899
where: short stacking energy: -587.890
Base-Backbone interact. energy: 2.288
local terms energy: -629.475598
where:
bonds (distance) C4'-P energy: -126.588
bonds (distance) P-C4' energy: -130.762
flat angles C4'-P-C4' energy: -138.497
flat angles P-C4'-P energy: -89.148
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: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1910.471153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.471153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.471153 (E_RNA)
where:
Base-Base interactions energy: -1306.750
where: short stacking energy: -587.347
Base-Backbone interact. energy: 5.072
local terms energy: -608.792620
where:
bonds (distance) C4'-P energy: -128.845
bonds (distance) P-C4' energy: -129.316
flat angles C4'-P-C4' energy: -132.217
flat angles P-C4'-P energy: -87.631
tors. eta vs tors. theta energy: -130.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1805.849191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.849191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.849191 (E_RNA)
where:
Base-Base interactions energy: -1203.748
where: short stacking energy: -539.877
Base-Backbone interact. energy: -0.477
local terms energy: -601.624077
where:
bonds (distance) C4'-P energy: -109.506
bonds (distance) P-C4' energy: -122.566
flat angles C4'-P-C4' energy: -144.984
flat angles P-C4'-P energy: -94.505
tors. eta vs tors. theta energy: -130.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1674.834272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.834272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.834272 (E_RNA)
where:
Base-Base interactions energy: -1078.160
where: short stacking energy: -516.842
Base-Backbone interact. energy: -2.223
local terms energy: -594.451009
where:
bonds (distance) C4'-P energy: -118.533
bonds (distance) P-C4' energy: -129.268
flat angles C4'-P-C4' energy: -137.666
flat angles P-C4'-P energy: -86.155
tors. eta vs tors. theta energy: -122.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1455.931243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.931243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.931243 (E_RNA)
where:
Base-Base interactions energy: -929.968
where: short stacking energy: -449.576
Base-Backbone interact. energy: -0.201
local terms energy: -525.762566
where:
bonds (distance) C4'-P energy: -124.388
bonds (distance) P-C4' energy: -116.787
flat angles C4'-P-C4' energy: -115.161
flat angles P-C4'-P energy: -96.949
tors. eta vs tors. theta energy: -72.476
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: 42
Temperature: 1.250000
Total energy: -1227.838635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.838635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.838635 (E_RNA)
where:
Base-Base interactions energy: -724.251
where: short stacking energy: -374.697
Base-Backbone interact. energy: 4.099
local terms energy: -507.687193
where:
bonds (distance) C4'-P energy: -103.325
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -108.614
flat angles P-C4'-P energy: -87.299
tors. eta vs tors. theta energy: -69.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -925.368939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.368939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.368939 (E_RNA)
where:
Base-Base interactions energy: -488.778
where: short stacking energy: -257.055
Base-Backbone interact. energy: 1.130
local terms energy: -437.721741
where:
bonds (distance) C4'-P energy: -124.125
bonds (distance) P-C4' energy: -113.496
flat angles C4'-P-C4' energy: -97.377
flat angles P-C4'-P energy: -80.766
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -729.835831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.835831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.835831 (E_RNA)
where:
Base-Base interactions energy: -365.554
where: short stacking energy: -201.287
Base-Backbone interact. energy: 4.624
local terms energy: -368.905441
where:
bonds (distance) C4'-P energy: -117.232
bonds (distance) P-C4' energy: -98.629
flat angles C4'-P-C4' energy: -102.385
flat angles P-C4'-P energy: -54.328
tors. eta vs tors. theta energy: 3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2348.138331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.138331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.138331 (E_RNA)
where:
Base-Base interactions energy: -1614.641
where: short stacking energy: -676.367
Base-Backbone interact. energy: -3.747
local terms energy: -729.750257
where:
bonds (distance) C4'-P energy: -148.100
bonds (distance) P-C4' energy: -144.204
flat angles C4'-P-C4' energy: -154.684
flat angles P-C4'-P energy: -107.888
tors. eta vs tors. theta energy: -174.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2303.398867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.398867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.398867 (E_RNA)
where:
Base-Base interactions energy: -1561.055
where: short stacking energy: -693.676
Base-Backbone interact. energy: -4.476
local terms energy: -737.868416
where:
bonds (distance) C4'-P energy: -153.185
bonds (distance) P-C4' energy: -135.844
flat angles C4'-P-C4' energy: -153.894
flat angles P-C4'-P energy: -103.631
tors. eta vs tors. theta energy: -191.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -2110.362302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.362302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.362302 (E_RNA)
where:
Base-Base interactions energy: -1483.654
where: short stacking energy: -593.065
Base-Backbone interact. energy: 4.020
local terms energy: -630.728503
where:
bonds (distance) C4'-P energy: -115.128
bonds (distance) P-C4' energy: -122.975
flat angles C4'-P-C4' energy: -143.090
flat angles P-C4'-P energy: -103.035
tors. eta vs tors. theta energy: -146.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1928.218387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.218387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.218387 (E_RNA)
where:
Base-Base interactions energy: -1292.944
where: short stacking energy: -564.003
Base-Backbone interact. energy: -1.513
local terms energy: -633.761109
where:
bonds (distance) C4'-P energy: -146.439
bonds (distance) P-C4' energy: -122.679
flat angles C4'-P-C4' energy: -137.581
flat angles P-C4'-P energy: -89.143
tors. eta vs tors. theta energy: -137.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1838.437924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.437924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.437924 (E_RNA)
where:
Base-Base interactions energy: -1259.409
where: short stacking energy: -544.586
Base-Backbone interact. energy: -4.144
local terms energy: -574.885519
where:
bonds (distance) C4'-P energy: -107.382
bonds (distance) P-C4' energy: -111.272
flat angles C4'-P-C4' energy: -133.735
flat angles P-C4'-P energy: -92.834
tors. eta vs tors. theta energy: -129.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1611.860050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.860050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.860050 (E_RNA)
where:
Base-Base interactions energy: -1034.934
where: short stacking energy: -513.476
Base-Backbone interact. energy: -0.309
local terms energy: -576.617320
where:
bonds (distance) C4'-P energy: -106.372
bonds (distance) P-C4' energy: -122.948
flat angles C4'-P-C4' energy: -146.013
flat angles P-C4'-P energy: -79.109
tors. eta vs tors. theta energy: -122.175
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: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1418.265876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.265876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.265876 (E_RNA)
where:
Base-Base interactions energy: -906.828
where: short stacking energy: -400.104
Base-Backbone interact. energy: -2.218
local terms energy: -509.220503
where:
bonds (distance) C4'-P energy: -116.571
bonds (distance) P-C4' energy: -120.759
flat angles C4'-P-C4' energy: -126.431
flat angles P-C4'-P energy: -77.041
tors. eta vs tors. theta energy: -68.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1168.810091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.810091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.810091 (E_RNA)
where:
Base-Base interactions energy: -703.892
where: short stacking energy: -368.783
Base-Backbone interact. energy: -1.818
local terms energy: -463.100169
where:
bonds (distance) C4'-P energy: -79.881
bonds (distance) P-C4' energy: -130.559
flat angles C4'-P-C4' energy: -128.551
flat angles P-C4'-P energy: -61.724
tors. eta vs tors. theta energy: -62.386
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: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -895.730367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.730367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.730367 (E_RNA)
where:
Base-Base interactions energy: -477.515
where: short stacking energy: -274.790
Base-Backbone interact. energy: 0.251
local terms energy: -418.466561
where:
bonds (distance) C4'-P energy: -107.339
bonds (distance) P-C4' energy: -108.938
flat angles C4'-P-C4' energy: -114.551
flat angles P-C4'-P energy: -72.575
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -738.972226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.972226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.972226 (E_RNA)
where:
Base-Base interactions energy: -365.512
where: short stacking energy: -213.309
Base-Backbone interact. energy: -2.476
local terms energy: -370.984077
where:
bonds (distance) C4'-P energy: -115.303
bonds (distance) P-C4' energy: -109.994
flat angles C4'-P-C4' energy: -88.791
flat angles P-C4'-P energy: -55.013
tors. eta vs tors. theta energy: -1.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2327.004984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.004984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.004984 (E_RNA)
where:
Base-Base interactions energy: -1612.780
where: short stacking energy: -678.419
Base-Backbone interact. energy: -2.206
local terms energy: -712.019014
where:
bonds (distance) C4'-P energy: -138.962
bonds (distance) P-C4' energy: -151.501
flat angles C4'-P-C4' energy: -153.397
flat angles P-C4'-P energy: -89.771
tors. eta vs tors. theta energy: -178.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2309.724059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.724059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.724059 (E_RNA)
where:
Base-Base interactions energy: -1600.576
where: short stacking energy: -696.319
Base-Backbone interact. energy: -0.987
local terms energy: -708.161503
where:
bonds (distance) C4'-P energy: -138.272
bonds (distance) P-C4' energy: -131.438
flat angles C4'-P-C4' energy: -155.603
flat angles P-C4'-P energy: -98.264
tors. eta vs tors. theta energy: -184.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2095.013325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.013325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.013325 (E_RNA)
where:
Base-Base interactions energy: -1471.341
where: short stacking energy: -576.149
Base-Backbone interact. energy: -1.075
local terms energy: -622.598020
where:
bonds (distance) C4'-P energy: -117.565
bonds (distance) P-C4' energy: -132.562
flat angles C4'-P-C4' energy: -149.542
flat angles P-C4'-P energy: -99.151
tors. eta vs tors. theta energy: -123.777
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: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1913.950650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.950650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.950650 (E_RNA)
where:
Base-Base interactions energy: -1300.843
where: short stacking energy: -531.622
Base-Backbone interact. energy: -4.657
local terms energy: -608.450667
where:
bonds (distance) C4'-P energy: -117.595
bonds (distance) P-C4' energy: -131.188
flat angles C4'-P-C4' energy: -134.978
flat angles P-C4'-P energy: -88.730
tors. eta vs tors. theta energy: -135.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1888.037756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.037756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.037756 (E_RNA)
where:
Base-Base interactions energy: -1278.839
where: short stacking energy: -562.594
Base-Backbone interact. energy: -5.380
local terms energy: -603.819017
where:
bonds (distance) C4'-P energy: -105.215
bonds (distance) P-C4' energy: -112.483
flat angles C4'-P-C4' energy: -136.347
flat angles P-C4'-P energy: -94.569
tors. eta vs tors. theta energy: -155.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1599.187259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.187259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.187259 (E_RNA)
where:
Base-Base interactions energy: -1035.632
where: short stacking energy: -479.046
Base-Backbone interact. energy: 1.229
local terms energy: -564.784476
where:
bonds (distance) C4'-P energy: -104.664
bonds (distance) P-C4' energy: -120.142
flat angles C4'-P-C4' energy: -135.997
flat angles P-C4'-P energy: -85.427
tors. eta vs tors. theta energy: -118.555
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: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1406.894357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.894357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.894357 (E_RNA)
where:
Base-Base interactions energy: -900.215
where: short stacking energy: -422.697
Base-Backbone interact. energy: 2.252
local terms energy: -508.931653
where:
bonds (distance) C4'-P energy: -123.331
bonds (distance) P-C4' energy: -116.027
flat angles C4'-P-C4' energy: -132.586
flat angles P-C4'-P energy: -53.434
tors. eta vs tors. theta energy: -83.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1116.069335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.069335 (E_RNA)
where:
Base-Base interactions energy: -643.984
where: short stacking energy: -312.725
Base-Backbone interact. energy: -1.975
local terms energy: -470.110545
where:
bonds (distance) C4'-P energy: -111.083
bonds (distance) P-C4' energy: -126.760
flat angles C4'-P-C4' energy: -118.348
flat angles P-C4'-P energy: -66.611
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -875.838984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.838984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.838984 (E_RNA)
where:
Base-Base interactions energy: -485.992
where: short stacking energy: -235.610
Base-Backbone interact. energy: -2.128
local terms energy: -387.718808
where:
bonds (distance) C4'-P energy: -113.282
bonds (distance) P-C4' energy: -113.846
flat angles C4'-P-C4' energy: -101.301
flat angles P-C4'-P energy: -65.204
tors. eta vs tors. theta energy: 5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -682.539742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.539742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.539742 (E_RNA)
where:
Base-Base interactions energy: -328.202
where: short stacking energy: -235.314
Base-Backbone interact. energy: 2.460
local terms energy: -356.798050
where:
bonds (distance) C4'-P energy: -104.323
bonds (distance) P-C4' energy: -122.519
flat angles C4'-P-C4' energy: -77.559
flat angles P-C4'-P energy: -55.140
tors. eta vs tors. theta energy: 2.744
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: 3
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2342.307313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.307313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.307313 (E_RNA)
where:
Base-Base interactions energy: -1629.968
where: short stacking energy: -714.298
Base-Backbone interact. energy: -2.679
local terms energy: -709.660753
where:
bonds (distance) C4'-P energy: -138.795
bonds (distance) P-C4' energy: -143.047
flat angles C4'-P-C4' energy: -145.718
flat angles P-C4'-P energy: -109.115
tors. eta vs tors. theta energy: -172.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2304.853357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.853357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.853357 (E_RNA)
where:
Base-Base interactions energy: -1576.326
where: short stacking energy: -704.292
Base-Backbone interact. energy: -4.111
local terms energy: -724.416955
where:
bonds (distance) C4'-P energy: -138.566
bonds (distance) P-C4' energy: -145.617
flat angles C4'-P-C4' energy: -154.784
flat angles P-C4'-P energy: -90.340
tors. eta vs tors. theta energy: -195.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2071.097996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.097996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.097996 (E_RNA)
where:
Base-Base interactions energy: -1447.472
where: short stacking energy: -600.340
Base-Backbone interact. energy: -1.740
local terms energy: -621.886165
where:
bonds (distance) C4'-P energy: -122.909
bonds (distance) P-C4' energy: -130.731
flat angles C4'-P-C4' energy: -140.532
flat angles P-C4'-P energy: -90.669
tors. eta vs tors. theta energy: -137.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1914.405803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.405803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.405803 (E_RNA)
where:
Base-Base interactions energy: -1285.948
where: short stacking energy: -550.164
Base-Backbone interact. energy: -3.737
local terms energy: -624.720381
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -145.822
flat angles C4'-P-C4' energy: -143.520
flat angles P-C4'-P energy: -82.029
tors. eta vs tors. theta energy: -135.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1875.391491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.391491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.391491 (E_RNA)
where:
Base-Base interactions energy: -1249.190
where: short stacking energy: -550.730
Base-Backbone interact. energy: 0.839
local terms energy: -627.040264
where:
bonds (distance) C4'-P energy: -119.851
bonds (distance) P-C4' energy: -133.639
flat angles C4'-P-C4' energy: -154.912
flat angles P-C4'-P energy: -86.170
tors. eta vs tors. theta energy: -132.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1582.458411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.458411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.458411 (E_RNA)
where:
Base-Base interactions energy: -1012.749
where: short stacking energy: -502.294
Base-Backbone interact. energy: 0.145
local terms energy: -569.853984
where:
bonds (distance) C4'-P energy: -128.160
bonds (distance) P-C4' energy: -120.031
flat angles C4'-P-C4' energy: -119.912
flat angles P-C4'-P energy: -87.512
tors. eta vs tors. theta energy: -114.239
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: 45
Temperature: 1.200000
Total energy: -1426.716380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.716380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.716380 (E_RNA)
where:
Base-Base interactions energy: -920.416
where: short stacking energy: -422.645
Base-Backbone interact. energy: 5.344
local terms energy: -511.644374
where:
bonds (distance) C4'-P energy: -116.817
bonds (distance) P-C4' energy: -122.376
flat angles C4'-P-C4' energy: -122.544
flat angles P-C4'-P energy: -64.270
tors. eta vs tors. theta energy: -85.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1245.047176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.047176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.047176 (E_RNA)
where:
Base-Base interactions energy: -762.118
where: short stacking energy: -367.382
Base-Backbone interact. energy: -1.788
local terms energy: -481.142064
where:
bonds (distance) C4'-P energy: -125.572
bonds (distance) P-C4' energy: -106.649
flat angles C4'-P-C4' energy: -126.279
flat angles P-C4'-P energy: -67.792
tors. eta vs tors. theta energy: -54.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -889.827689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.827689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.827689 (E_RNA)
where:
Base-Base interactions energy: -495.959
where: short stacking energy: -258.420
Base-Backbone interact. energy: 3.893
local terms energy: -397.761940
where:
bonds (distance) C4'-P energy: -111.566
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -100.242
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -9.727
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: 10, replica: 6
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -720.599588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.599588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.599588 (E_RNA)
where:
Base-Base interactions energy: -333.315
where: short stacking energy: -233.320
Base-Backbone interact. energy: 4.299
local terms energy: -391.584140
where:
bonds (distance) C4'-P energy: -100.500
bonds (distance) P-C4' energy: -105.969
flat angles C4'-P-C4' energy: -117.027
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2335.527127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.527127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.527127 (E_RNA)
where:
Base-Base interactions energy: -1626.006
where: short stacking energy: -681.076
Base-Backbone interact. energy: -3.085
local terms energy: -706.436836
where:
bonds (distance) C4'-P energy: -129.572
bonds (distance) P-C4' energy: -158.204
flat angles C4'-P-C4' energy: -145.421
flat angles P-C4'-P energy: -99.914
tors. eta vs tors. theta energy: -173.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2301.295882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.295882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.295882 (E_RNA)
where:
Base-Base interactions energy: -1590.111
where: short stacking energy: -705.868
Base-Backbone interact. energy: -3.056
local terms energy: -708.128896
where:
bonds (distance) C4'-P energy: -123.257
bonds (distance) P-C4' energy: -132.360
flat angles C4'-P-C4' energy: -157.871
flat angles P-C4'-P energy: -105.877
tors. eta vs tors. theta energy: -188.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2061.283841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.283841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.283841 (E_RNA)
where:
Base-Base interactions energy: -1434.758
where: short stacking energy: -567.378
Base-Backbone interact. energy: -2.023
local terms energy: -624.503362
where:
bonds (distance) C4'-P energy: -125.350
bonds (distance) P-C4' energy: -143.299
flat angles C4'-P-C4' energy: -134.988
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -144.734
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: 2
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1923.135870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.135870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.135870 (E_RNA)
where:
Base-Base interactions energy: -1320.767
where: short stacking energy: -596.863
Base-Backbone interact. energy: 1.153
local terms energy: -603.522537
where:
bonds (distance) C4'-P energy: -123.535
bonds (distance) P-C4' energy: -124.633
flat angles C4'-P-C4' energy: -137.088
flat angles P-C4'-P energy: -82.701
tors. eta vs tors. theta energy: -135.565
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: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1850.483113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.483113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.483113 (E_RNA)
where:
Base-Base interactions energy: -1278.467
where: short stacking energy: -545.548
Base-Backbone interact. energy: 0.988
local terms energy: -573.003660
where:
bonds (distance) C4'-P energy: -101.602
bonds (distance) P-C4' energy: -118.795
flat angles C4'-P-C4' energy: -140.761
flat angles P-C4'-P energy: -82.418
tors. eta vs tors. theta energy: -129.428
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: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1657.069767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.069767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.069767 (E_RNA)
where:
Base-Base interactions energy: -1079.884
where: short stacking energy: -526.175
Base-Backbone interact. energy: 7.299
local terms energy: -584.484182
where:
bonds (distance) C4'-P energy: -108.318
bonds (distance) P-C4' energy: -130.014
flat angles C4'-P-C4' energy: -144.698
flat angles P-C4'-P energy: -77.061
tors. eta vs tors. theta energy: -124.395
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: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1419.216553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.216553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.216553 (E_RNA)
where:
Base-Base interactions energy: -910.974
where: short stacking energy: -435.310
Base-Backbone interact. energy: -0.813
local terms energy: -507.429294
where:
bonds (distance) C4'-P energy: -105.209
bonds (distance) P-C4' energy: -129.610
flat angles C4'-P-C4' energy: -105.300
flat angles P-C4'-P energy: -86.185
tors. eta vs tors. theta energy: -81.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1228.224329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.224329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.224329 (E_RNA)
where:
Base-Base interactions energy: -739.980
where: short stacking energy: -364.723
Base-Backbone interact. energy: 2.301
local terms energy: -490.545141
where:
bonds (distance) C4'-P energy: -124.682
bonds (distance) P-C4' energy: -123.750
flat angles C4'-P-C4' energy: -115.815
flat angles P-C4'-P energy: -66.685
tors. eta vs tors. theta energy: -59.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -865.268468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.268468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.268468 (E_RNA)
where:
Base-Base interactions energy: -462.523
where: short stacking energy: -249.783
Base-Backbone interact. energy: 2.942
local terms energy: -405.687971
where:
bonds (distance) C4'-P energy: -103.291
bonds (distance) P-C4' energy: -113.149
flat angles C4'-P-C4' energy: -120.304
flat angles P-C4'-P energy: -64.040
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -665.208722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.208722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.208722 (E_RNA)
where:
Base-Base interactions energy: -319.097
where: short stacking energy: -223.758
Base-Backbone interact. energy: 4.715
local terms energy: -350.827051
where:
bonds (distance) C4'-P energy: -105.206
bonds (distance) P-C4' energy: -101.598
flat angles C4'-P-C4' energy: -94.731
flat angles P-C4'-P energy: -59.489
tors. eta vs tors. theta energy: 10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2352.906913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.906913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.906913 (E_RNA)
where:
Base-Base interactions energy: -1644.525
where: short stacking energy: -702.049
Base-Backbone interact. energy: -3.431
local terms energy: -704.951029
where:
bonds (distance) C4'-P energy: -139.337
bonds (distance) P-C4' energy: -137.226
flat angles C4'-P-C4' energy: -149.916
flat angles P-C4'-P energy: -102.836
tors. eta vs tors. theta energy: -175.636
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: 7
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2301.280736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.280736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.280736 (E_RNA)
where:
Base-Base interactions energy: -1579.102
where: short stacking energy: -692.492
Base-Backbone interact. energy: -2.000
local terms energy: -720.178815
where:
bonds (distance) C4'-P energy: -129.818
bonds (distance) P-C4' energy: -130.623
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -101.404
tors. eta vs tors. theta energy: -197.291
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: 47
Temperature: 1.000000
Total energy: -2018.790738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.790738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.790738 (E_RNA)
where:
Base-Base interactions energy: -1385.661
where: short stacking energy: -596.375
Base-Backbone interact. energy: -4.281
local terms energy: -628.848939
where:
bonds (distance) C4'-P energy: -116.503
bonds (distance) P-C4' energy: -131.309
flat angles C4'-P-C4' energy: -142.158
flat angles P-C4'-P energy: -101.792
tors. eta vs tors. theta energy: -137.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1962.065589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.065589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.065589 (E_RNA)
where:
Base-Base interactions energy: -1307.671
where: short stacking energy: -574.498
Base-Backbone interact. energy: -4.133
local terms energy: -650.261665
where:
bonds (distance) C4'-P energy: -136.430
bonds (distance) P-C4' energy: -130.578
flat angles C4'-P-C4' energy: -148.611
flat angles P-C4'-P energy: -89.825
tors. eta vs tors. theta energy: -144.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1920.367213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.367213 (E_RNA)
where:
Base-Base interactions energy: -1278.814
where: short stacking energy: -579.851
Base-Backbone interact. energy: -2.658
local terms energy: -638.894941
where:
bonds (distance) C4'-P energy: -128.218
bonds (distance) P-C4' energy: -118.602
flat angles C4'-P-C4' energy: -145.116
flat angles P-C4'-P energy: -96.659
tors. eta vs tors. theta energy: -150.299
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: 47
Temperature: 1.150000
Total energy: -1615.218307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.218307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.218307 (E_RNA)
where:
Base-Base interactions energy: -1033.805
where: short stacking energy: -508.780
Base-Backbone interact. energy: -0.042
local terms energy: -581.371334
where:
bonds (distance) C4'-P energy: -130.320
bonds (distance) P-C4' energy: -127.279
flat angles C4'-P-C4' energy: -140.116
flat angles P-C4'-P energy: -59.706
tors. eta vs tors. theta energy: -123.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1506.524589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.524589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.524589 (E_RNA)
where:
Base-Base interactions energy: -956.376
where: short stacking energy: -407.927
Base-Backbone interact. energy: -3.128
local terms energy: -547.020483
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -132.808
flat angles C4'-P-C4' energy: -132.377
flat angles P-C4'-P energy: -80.342
tors. eta vs tors. theta energy: -81.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1242.999453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.999453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.999453 (E_RNA)
where:
Base-Base interactions energy: -764.624
where: short stacking energy: -419.506
Base-Backbone interact. energy: 6.348
local terms energy: -484.722969
where:
bonds (distance) C4'-P energy: -105.831
bonds (distance) P-C4' energy: -123.487
flat angles C4'-P-C4' energy: -112.006
flat angles P-C4'-P energy: -77.056
tors. eta vs tors. theta energy: -66.343
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: 1
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -854.752305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.752305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.752305 (E_RNA)
where:
Base-Base interactions energy: -473.194
where: short stacking energy: -247.530
Base-Backbone interact. energy: 5.348
local terms energy: -386.907045
where:
bonds (distance) C4'-P energy: -116.160
bonds (distance) P-C4' energy: -105.979
flat angles C4'-P-C4' energy: -91.626
flat angles P-C4'-P energy: -61.594
tors. eta vs tors. theta energy: -11.547
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: 10, replica: 6
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -686.131138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.131138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.131138 (E_RNA)
where:
Base-Base interactions energy: -322.246
where: short stacking energy: -204.286
Base-Backbone interact. energy: 2.900
local terms energy: -366.785642
where:
bonds (distance) C4'-P energy: -96.104
bonds (distance) P-C4' energy: -122.935
flat angles C4'-P-C4' energy: -100.737
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2355.680579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.680579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.680579 (E_RNA)
where:
Base-Base interactions energy: -1658.242
where: short stacking energy: -706.343
Base-Backbone interact. energy: 0.386
local terms energy: -697.824318
where:
bonds (distance) C4'-P energy: -136.214
bonds (distance) P-C4' energy: -123.573
flat angles C4'-P-C4' energy: -160.151
flat angles P-C4'-P energy: -100.184
tors. eta vs tors. theta energy: -177.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2321.735992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.735992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.735992 (E_RNA)
where:
Base-Base interactions energy: -1589.240
where: short stacking energy: -708.740
Base-Backbone interact. energy: -1.011
local terms energy: -731.484708
where:
bonds (distance) C4'-P energy: -123.995
bonds (distance) P-C4' energy: -139.626
flat angles C4'-P-C4' energy: -163.223
flat angles P-C4'-P energy: -106.492
tors. eta vs tors. theta energy: -198.149
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: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2035.105335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.105335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.105335 (E_RNA)
where:
Base-Base interactions energy: -1396.902
where: short stacking energy: -597.115
Base-Backbone interact. energy: -0.045
local terms energy: -638.158378
where:
bonds (distance) C4'-P energy: -115.886
bonds (distance) P-C4' energy: -145.862
flat angles C4'-P-C4' energy: -145.675
flat angles P-C4'-P energy: -98.815
tors. eta vs tors. theta energy: -131.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1929.919099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.919099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.919099 (E_RNA)
where:
Base-Base interactions energy: -1323.294
where: short stacking energy: -614.206
Base-Backbone interact. energy: -3.082
local terms energy: -603.543516
where:
bonds (distance) C4'-P energy: -111.372
bonds (distance) P-C4' energy: -123.963
flat angles C4'-P-C4' energy: -132.697
flat angles P-C4'-P energy: -87.079
tors. eta vs tors. theta energy: -148.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1902.365223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.365223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.365223 (E_RNA)
where:
Base-Base interactions energy: -1299.317
where: short stacking energy: -558.290
Base-Backbone interact. energy: -0.433
local terms energy: -602.615063
where:
bonds (distance) C4'-P energy: -138.046
bonds (distance) P-C4' energy: -127.369
flat angles C4'-P-C4' energy: -113.011
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -128.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1588.201661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.201661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.201661 (E_RNA)
where:
Base-Base interactions energy: -1007.066
where: short stacking energy: -507.364
Base-Backbone interact. energy: -1.229
local terms energy: -579.906721
where:
bonds (distance) C4'-P energy: -123.888
bonds (distance) P-C4' energy: -118.428
flat angles C4'-P-C4' energy: -129.989
flat angles P-C4'-P energy: -75.861
tors. eta vs tors. theta energy: -131.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1482.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.915623 (E_RNA)
where:
Base-Base interactions energy: -949.364
where: short stacking energy: -426.280
Base-Backbone interact. energy: -0.717
local terms energy: -532.834434
where:
bonds (distance) C4'-P energy: -107.204
bonds (distance) P-C4' energy: -131.049
flat angles C4'-P-C4' energy: -126.206
flat angles P-C4'-P energy: -81.658
tors. eta vs tors. theta energy: -86.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1211.066775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.066775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.066775 (E_RNA)
where:
Base-Base interactions energy: -737.971
where: short stacking energy: -394.072
Base-Backbone interact. energy: -2.078
local terms energy: -471.017563
where:
bonds (distance) C4'-P energy: -98.711
bonds (distance) P-C4' energy: -113.626
flat angles C4'-P-C4' energy: -109.629
flat angles P-C4'-P energy: -91.199
tors. eta vs tors. theta energy: -57.853
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: 48
Temperature: 1.300000
Total energy: -895.964136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.964136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.964136 (E_RNA)
where:
Base-Base interactions energy: -476.376
where: short stacking energy: -246.314
Base-Backbone interact. energy: -1.420
local terms energy: -418.168310
where:
bonds (distance) C4'-P energy: -120.410
bonds (distance) P-C4' energy: -118.470
flat angles C4'-P-C4' energy: -114.836
flat angles P-C4'-P energy: -55.008
tors. eta vs tors. theta energy: -9.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -725.260847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.260847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.260847 (E_RNA)
where:
Base-Base interactions energy: -347.128
where: short stacking energy: -215.736
Base-Backbone interact. energy: 10.546
local terms energy: -388.679079
where:
bonds (distance) C4'-P energy: -128.340
bonds (distance) P-C4' energy: -102.529
flat angles C4'-P-C4' energy: -116.216
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: 7.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2347.043866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.043866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.043866 (E_RNA)
where:
Base-Base interactions energy: -1640.456
where: short stacking energy: -670.050
Base-Backbone interact. energy: -3.759
local terms energy: -702.829618
where:
bonds (distance) C4'-P energy: -139.696
bonds (distance) P-C4' energy: -150.660
flat angles C4'-P-C4' energy: -149.174
flat angles P-C4'-P energy: -91.445
tors. eta vs tors. theta energy: -171.855
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: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2348.014584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.014584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.014584 (E_RNA)
where:
Base-Base interactions energy: -1618.869
where: short stacking energy: -728.845
Base-Backbone interact. energy: -4.376
local terms energy: -724.769246
where:
bonds (distance) C4'-P energy: -130.077
bonds (distance) P-C4' energy: -134.881
flat angles C4'-P-C4' energy: -150.382
flat angles P-C4'-P energy: -101.057
tors. eta vs tors. theta energy: -208.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2042.721233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.721233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.721233 (E_RNA)
where:
Base-Base interactions energy: -1402.430
where: short stacking energy: -580.586
Base-Backbone interact. energy: -2.247
local terms energy: -638.044096
where:
bonds (distance) C4'-P energy: -130.714
bonds (distance) P-C4' energy: -139.549
flat angles C4'-P-C4' energy: -151.948
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -134.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1952.496764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.496764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.496764 (E_RNA)
where:
Base-Base interactions energy: -1320.709
where: short stacking energy: -612.326
Base-Backbone interact. energy: -4.800
local terms energy: -626.988019
where:
bonds (distance) C4'-P energy: -127.170
bonds (distance) P-C4' energy: -115.956
flat angles C4'-P-C4' energy: -137.286
flat angles P-C4'-P energy: -87.781
tors. eta vs tors. theta energy: -158.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1827.753806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.753806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.753806 (E_RNA)
where:
Base-Base interactions energy: -1228.375
where: short stacking energy: -559.934
Base-Backbone interact. energy: -2.076
local terms energy: -597.303208
where:
bonds (distance) C4'-P energy: -119.066
bonds (distance) P-C4' energy: -120.992
flat angles C4'-P-C4' energy: -131.042
flat angles P-C4'-P energy: -97.256
tors. eta vs tors. theta energy: -128.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1638.477762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.477762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.477762 (E_RNA)
where:
Base-Base interactions energy: -1065.358
where: short stacking energy: -517.569
Base-Backbone interact. energy: -4.670
local terms energy: -568.449784
where:
bonds (distance) C4'-P energy: -107.068
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -129.868
flat angles P-C4'-P energy: -92.470
tors. eta vs tors. theta energy: -119.447
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: 49
Temperature: 1.200000
Total energy: -1467.679199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.679199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.679199 (E_RNA)
where:
Base-Base interactions energy: -959.218
where: short stacking energy: -392.879
Base-Backbone interact. energy: -2.646
local terms energy: -505.814860
where:
bonds (distance) C4'-P energy: -99.326
bonds (distance) P-C4' energy: -129.772
flat angles C4'-P-C4' energy: -128.321
flat angles P-C4'-P energy: -78.548
tors. eta vs tors. theta energy: -69.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1277.592611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.592611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.592611 (E_RNA)
where:
Base-Base interactions energy: -783.729
where: short stacking energy: -362.377
Base-Backbone interact. energy: 0.284
local terms energy: -494.147676
where:
bonds (distance) C4'-P energy: -119.459
bonds (distance) P-C4' energy: -121.956
flat angles C4'-P-C4' energy: -122.347
flat angles P-C4'-P energy: -72.490
tors. eta vs tors. theta energy: -57.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -916.022608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.022608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.022608 (E_RNA)
where:
Base-Base interactions energy: -523.549
where: short stacking energy: -292.734
Base-Backbone interact. energy: -0.383
local terms energy: -392.090440
where:
bonds (distance) C4'-P energy: -98.959
bonds (distance) P-C4' energy: -126.892
flat angles C4'-P-C4' energy: -83.836
flat angles P-C4'-P energy: -56.492
tors. eta vs tors. theta energy: -25.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -761.465052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.465052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.465052 (E_RNA)
where:
Base-Base interactions energy: -393.163
where: short stacking energy: -232.662
Base-Backbone interact. energy: 0.614
local terms energy: -368.915842
where:
bonds (distance) C4'-P energy: -99.638
bonds (distance) P-C4' energy: -105.796
flat angles C4'-P-C4' energy: -83.458
flat angles P-C4'-P energy: -70.666
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2392.982086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.982086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.982086 (E_RNA)
where:
Base-Base interactions energy: -1683.172
where: short stacking energy: -678.092
Base-Backbone interact. energy: -2.438
local terms energy: -707.371950
where:
bonds (distance) C4'-P energy: -136.937
bonds (distance) P-C4' energy: -143.377
flat angles C4'-P-C4' energy: -160.991
flat angles P-C4'-P energy: -101.375
tors. eta vs tors. theta energy: -164.692
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: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2318.220670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.220670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.220670 (E_RNA)
where:
Base-Base interactions energy: -1598.109
where: short stacking energy: -692.563
Base-Backbone interact. energy: 0.447
local terms energy: -720.558277
where:
bonds (distance) C4'-P energy: -123.838
bonds (distance) P-C4' energy: -150.704
flat angles C4'-P-C4' energy: -150.766
flat angles P-C4'-P energy: -98.642
tors. eta vs tors. theta energy: -196.608
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: 50
Temperature: 1.000000
Total energy: -2024.052612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.052612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.052612 (E_RNA)
where:
Base-Base interactions energy: -1386.015
where: short stacking energy: -578.592
Base-Backbone interact. energy: 3.120
local terms energy: -641.156878
where:
bonds (distance) C4'-P energy: -141.988
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -139.328
flat angles P-C4'-P energy: -94.458
tors. eta vs tors. theta energy: -135.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1968.826121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.826121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.826121 (E_RNA)
where:
Base-Base interactions energy: -1337.805
where: short stacking energy: -590.267
Base-Backbone interact. energy: -7.961
local terms energy: -623.059829
where:
bonds (distance) C4'-P energy: -124.485
bonds (distance) P-C4' energy: -125.998
flat angles C4'-P-C4' energy: -136.012
flat angles P-C4'-P energy: -82.579
tors. eta vs tors. theta energy: -153.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1849.175821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.175821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.175821 (E_RNA)
where:
Base-Base interactions energy: -1248.465
where: short stacking energy: -560.019
Base-Backbone interact. energy: 3.551
local terms energy: -604.262503
where:
bonds (distance) C4'-P energy: -116.329
bonds (distance) P-C4' energy: -129.506
flat angles C4'-P-C4' energy: -139.440
flat angles P-C4'-P energy: -80.863
tors. eta vs tors. theta energy: -138.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1589.616079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.616079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.616079 (E_RNA)
where:
Base-Base interactions energy: -1012.904
where: short stacking energy: -499.161
Base-Backbone interact. energy: 0.006
local terms energy: -576.718357
where:
bonds (distance) C4'-P energy: -120.492
bonds (distance) P-C4' energy: -112.383
flat angles C4'-P-C4' energy: -140.846
flat angles P-C4'-P energy: -83.952
tors. eta vs tors. theta energy: -119.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1463.741596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.741596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.741596 (E_RNA)
where:
Base-Base interactions energy: -957.864
where: short stacking energy: -439.466
Base-Backbone interact. energy: 2.514
local terms energy: -508.390832
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -130.305
flat angles C4'-P-C4' energy: -120.966
flat angles P-C4'-P energy: -69.037
tors. eta vs tors. theta energy: -92.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1284.090034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.090034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.090034 (E_RNA)
where:
Base-Base interactions energy: -810.011
where: short stacking energy: -383.748
Base-Backbone interact. energy: 6.088
local terms energy: -480.167133
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -123.450
flat angles C4'-P-C4' energy: -107.662
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -62.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -847.589230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.589230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.589230 (E_RNA)
where:
Base-Base interactions energy: -454.415
where: short stacking energy: -271.021
Base-Backbone interact. energy: 2.125
local terms energy: -395.299523
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -112.661
flat angles C4'-P-C4' energy: -86.175
flat angles P-C4'-P energy: -65.828
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -791.651068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.651068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.651068 (E_RNA)
where:
Base-Base interactions energy: -416.457
where: short stacking energy: -231.484
Base-Backbone interact. energy: 0.265
local terms energy: -375.459410
where:
bonds (distance) C4'-P energy: -91.323
bonds (distance) P-C4' energy: -116.689
flat angles C4'-P-C4' energy: -97.837
flat angles P-C4'-P energy: -69.507
tors. eta vs tors. theta energy: -0.103
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: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2382.951081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.951081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.951081 (E_RNA)
where:
Base-Base interactions energy: -1655.220
where: short stacking energy: -690.096
Base-Backbone interact. energy: -5.123
local terms energy: -722.608789
where:
bonds (distance) C4'-P energy: -144.828
bonds (distance) P-C4' energy: -151.390
flat angles C4'-P-C4' energy: -151.161
flat angles P-C4'-P energy: -93.505
tors. eta vs tors. theta energy: -181.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2362.321938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.321938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.321938 (E_RNA)
where:
Base-Base interactions energy: -1618.778
where: short stacking energy: -729.619
Base-Backbone interact. energy: -2.293
local terms energy: -741.251248
where:
bonds (distance) C4'-P energy: -137.015
bonds (distance) P-C4' energy: -130.965
flat angles C4'-P-C4' energy: -164.447
flat angles P-C4'-P energy: -101.918
tors. eta vs tors. theta energy: -206.905
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: 51
Temperature: 1.000000
Total energy: -2038.734442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.734442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.734442 (E_RNA)
where:
Base-Base interactions energy: -1412.577
where: short stacking energy: -599.812
Base-Backbone interact. energy: -2.705
local terms energy: -623.453173
where:
bonds (distance) C4'-P energy: -125.203
bonds (distance) P-C4' energy: -139.160
flat angles C4'-P-C4' energy: -127.857
flat angles P-C4'-P energy: -86.903
tors. eta vs tors. theta energy: -144.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2011.793740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.793740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.793740 (E_RNA)
where:
Base-Base interactions energy: -1367.620
where: short stacking energy: -622.740
Base-Backbone interact. energy: -2.314
local terms energy: -641.859776
where:
bonds (distance) C4'-P energy: -119.210
bonds (distance) P-C4' energy: -141.167
flat angles C4'-P-C4' energy: -129.357
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -159.788
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: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1832.524990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.524990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.524990 (E_RNA)
where:
Base-Base interactions energy: -1236.501
where: short stacking energy: -531.225
Base-Backbone interact. energy: 0.253
local terms energy: -596.276152
where:
bonds (distance) C4'-P energy: -128.177
bonds (distance) P-C4' energy: -126.975
flat angles C4'-P-C4' energy: -141.186
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -110.311
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: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1637.407595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.407595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.407595 (E_RNA)
where:
Base-Base interactions energy: -1080.491
where: short stacking energy: -471.647
Base-Backbone interact. energy: -1.079
local terms energy: -555.837461
where:
bonds (distance) C4'-P energy: -97.156
bonds (distance) P-C4' energy: -119.028
flat angles C4'-P-C4' energy: -136.665
flat angles P-C4'-P energy: -79.603
tors. eta vs tors. theta energy: -123.385
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: 51
Temperature: 1.200000
Total energy: -1469.903670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.903670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.903670 (E_RNA)
where:
Base-Base interactions energy: -941.756
where: short stacking energy: -419.849
Base-Backbone interact. energy: -1.232
local terms energy: -526.914903
where:
bonds (distance) C4'-P energy: -104.451
bonds (distance) P-C4' energy: -123.014
flat angles C4'-P-C4' energy: -119.626
flat angles P-C4'-P energy: -86.367
tors. eta vs tors. theta energy: -93.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1357.269545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.269545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.269545 (E_RNA)
where:
Base-Base interactions energy: -906.535
where: short stacking energy: -420.806
Base-Backbone interact. energy: 0.336
local terms energy: -451.070012
where:
bonds (distance) C4'-P energy: -116.622
bonds (distance) P-C4' energy: -102.232
flat angles C4'-P-C4' energy: -107.829
flat angles P-C4'-P energy: -63.775
tors. eta vs tors. theta energy: -60.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -885.700448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.700448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.700448 (E_RNA)
where:
Base-Base interactions energy: -472.986
where: short stacking energy: -279.248
Base-Backbone interact. energy: -1.663
local terms energy: -411.052015
where:
bonds (distance) C4'-P energy: -98.684
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -65.388
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -763.604350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.604350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.604350 (E_RNA)
where:
Base-Base interactions energy: -399.043
where: short stacking energy: -245.072
Base-Backbone interact. energy: 2.619
local terms energy: -367.179949
where:
bonds (distance) C4'-P energy: -103.114
bonds (distance) P-C4' energy: -124.096
flat angles C4'-P-C4' energy: -90.429
flat angles P-C4'-P energy: -52.044
tors. eta vs tors. theta energy: 2.503
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: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2409.343435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.343435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.343435 (E_RNA)
where:
Base-Base interactions energy: -1638.859
where: short stacking energy: -725.294
Base-Backbone interact. energy: -3.586
local terms energy: -766.898530
where:
bonds (distance) C4'-P energy: -155.522
bonds (distance) P-C4' energy: -142.098
flat angles C4'-P-C4' energy: -153.144
flat angles P-C4'-P energy: -105.430
tors. eta vs tors. theta energy: -210.704
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: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2333.535657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.535657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.535657 (E_RNA)
where:
Base-Base interactions energy: -1634.366
where: short stacking energy: -649.304
Base-Backbone interact. energy: 0.161
local terms energy: -699.331601
where:
bonds (distance) C4'-P energy: -139.456
bonds (distance) P-C4' energy: -137.576
flat angles C4'-P-C4' energy: -158.498
flat angles P-C4'-P energy: -81.183
tors. eta vs tors. theta energy: -182.618
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: 9
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2047.073242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.073242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.073242 (E_RNA)
where:
Base-Base interactions energy: -1387.558
where: short stacking energy: -581.049
Base-Backbone interact. energy: -1.174
local terms energy: -658.341422
where:
bonds (distance) C4'-P energy: -146.534
bonds (distance) P-C4' energy: -117.909
flat angles C4'-P-C4' energy: -147.372
flat angles P-C4'-P energy: -94.250
tors. eta vs tors. theta energy: -152.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -2000.318295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.318295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.318295 (E_RNA)
where:
Base-Base interactions energy: -1369.472
where: short stacking energy: -606.629
Base-Backbone interact. energy: 1.105
local terms energy: -631.951375
where:
bonds (distance) C4'-P energy: -117.542
bonds (distance) P-C4' energy: -116.016
flat angles C4'-P-C4' energy: -153.136
flat angles P-C4'-P energy: -86.224
tors. eta vs tors. theta energy: -159.034
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: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1873.268526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.268526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.268526 (E_RNA)
where:
Base-Base interactions energy: -1265.625
where: short stacking energy: -587.577
Base-Backbone interact. energy: -1.185
local terms energy: -606.458692
where:
bonds (distance) C4'-P energy: -127.643
bonds (distance) P-C4' energy: -130.745
flat angles C4'-P-C4' energy: -136.857
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: -135.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1558.999505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.999505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.999505 (E_RNA)
where:
Base-Base interactions energy: -999.873
where: short stacking energy: -486.479
Base-Backbone interact. energy: -0.190
local terms energy: -558.936397
where:
bonds (distance) C4'-P energy: -118.349
bonds (distance) P-C4' energy: -118.196
flat angles C4'-P-C4' energy: -135.410
flat angles P-C4'-P energy: -74.299
tors. eta vs tors. theta energy: -112.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1404.873893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.873893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.873893 (E_RNA)
where:
Base-Base interactions energy: -919.968
where: short stacking energy: -434.026
Base-Backbone interact. energy: 4.701
local terms energy: -489.606995
where:
bonds (distance) C4'-P energy: -102.967
bonds (distance) P-C4' energy: -124.183
flat angles C4'-P-C4' energy: -115.999
flat angles P-C4'-P energy: -56.734
tors. eta vs tors. theta energy: -89.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1343.949788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.949788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.949788 (E_RNA)
where:
Base-Base interactions energy: -856.665
where: short stacking energy: -375.779
Base-Backbone interact. energy: -1.672
local terms energy: -485.612358
where:
bonds (distance) C4'-P energy: -96.746
bonds (distance) P-C4' energy: -135.050
flat angles C4'-P-C4' energy: -127.364
flat angles P-C4'-P energy: -70.610
tors. eta vs tors. theta energy: -55.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -786.362821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.362821 (E_RNA)
where:
Base-Base interactions energy: -396.336
where: short stacking energy: -224.789
Base-Backbone interact. energy: 0.409
local terms energy: -390.435845
where:
bonds (distance) C4'-P energy: -104.158
bonds (distance) P-C4' energy: -132.322
flat angles C4'-P-C4' energy: -95.535
flat angles P-C4'-P energy: -57.253
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -776.761731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.761731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.761731 (E_RNA)
where:
Base-Base interactions energy: -407.562
where: short stacking energy: -232.636
Base-Backbone interact. energy: 1.850
local terms energy: -371.049581
where:
bonds (distance) C4'-P energy: -102.640
bonds (distance) P-C4' energy: -125.069
flat angles C4'-P-C4' energy: -87.805
flat angles P-C4'-P energy: -43.146
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2416.555717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.555717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.555717 (E_RNA)
where:
Base-Base interactions energy: -1666.822
where: short stacking energy: -737.000
Base-Backbone interact. energy: -2.285
local terms energy: -747.448370
where:
bonds (distance) C4'-P energy: -139.383
bonds (distance) P-C4' energy: -151.463
flat angles C4'-P-C4' energy: -151.260
flat angles P-C4'-P energy: -97.650
tors. eta vs tors. theta energy: -207.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2283.708538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.708538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.708538 (E_RNA)
where:
Base-Base interactions energy: -1622.939
where: short stacking energy: -662.046
Base-Backbone interact. energy: 0.558
local terms energy: -661.327578
where:
bonds (distance) C4'-P energy: -134.116
bonds (distance) P-C4' energy: -126.582
flat angles C4'-P-C4' energy: -125.976
flat angles P-C4'-P energy: -105.451
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: 3, replica: 9
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2060.874978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.874978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.874978 (E_RNA)
where:
Base-Base interactions energy: -1442.907
where: short stacking energy: -585.792
Base-Backbone interact. energy: -3.697
local terms energy: -614.271309
where:
bonds (distance) C4'-P energy: -105.746
bonds (distance) P-C4' energy: -127.051
flat angles C4'-P-C4' energy: -147.357
flat angles P-C4'-P energy: -90.950
tors. eta vs tors. theta energy: -143.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1989.813786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.813786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.813786 (E_RNA)
where:
Base-Base interactions energy: -1369.702
where: short stacking energy: -611.477
Base-Backbone interact. energy: -0.024
local terms energy: -620.087001
where:
bonds (distance) C4'-P energy: -117.147
bonds (distance) P-C4' energy: -124.100
flat angles C4'-P-C4' energy: -142.877
flat angles P-C4'-P energy: -83.631
tors. eta vs tors. theta energy: -152.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1857.532510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.532510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.532510 (E_RNA)
where:
Base-Base interactions energy: -1243.766
where: short stacking energy: -535.539
Base-Backbone interact. energy: 1.425
local terms energy: -615.191122
where:
bonds (distance) C4'-P energy: -129.697
bonds (distance) P-C4' energy: -128.863
flat angles C4'-P-C4' energy: -146.758
flat angles P-C4'-P energy: -80.977
tors. eta vs tors. theta energy: -128.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1536.904860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.904860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.904860 (E_RNA)
where:
Base-Base interactions energy: -994.857
where: short stacking energy: -473.953
Base-Backbone interact. energy: -2.543
local terms energy: -539.505319
where:
bonds (distance) C4'-P energy: -121.545
bonds (distance) P-C4' energy: -109.217
flat angles C4'-P-C4' energy: -116.493
flat angles P-C4'-P energy: -78.456
tors. eta vs tors. theta energy: -113.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1494.948735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.948735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.948735 (E_RNA)
where:
Base-Base interactions energy: -949.399
where: short stacking energy: -426.075
Base-Backbone interact. energy: 0.039
local terms energy: -545.588462
where:
bonds (distance) C4'-P energy: -128.731
bonds (distance) P-C4' energy: -129.081
flat angles C4'-P-C4' energy: -116.056
flat angles P-C4'-P energy: -69.775
tors. eta vs tors. theta energy: -101.945
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: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1453.877112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.877112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.877112 (E_RNA)
where:
Base-Base interactions energy: -963.523
where: short stacking energy: -449.249
Base-Backbone interact. energy: -0.897
local terms energy: -489.457666
where:
bonds (distance) C4'-P energy: -105.099
bonds (distance) P-C4' energy: -111.919
flat angles C4'-P-C4' energy: -125.762
flat angles P-C4'-P energy: -65.527
tors. eta vs tors. theta energy: -81.150
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: 53
Temperature: 1.300000
Total energy: -820.878003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.878003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.878003 (E_RNA)
where:
Base-Base interactions energy: -417.441
where: short stacking energy: -244.619
Base-Backbone interact. energy: 2.160
local terms energy: -405.596127
where:
bonds (distance) C4'-P energy: -104.684
bonds (distance) P-C4' energy: -115.555
flat angles C4'-P-C4' energy: -99.373
flat angles P-C4'-P energy: -73.565
tors. eta vs tors. theta energy: -12.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -755.193682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.193682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.193682 (E_RNA)
where:
Base-Base interactions energy: -373.057
where: short stacking energy: -220.670
Base-Backbone interact. energy: -0.427
local terms energy: -381.709379
where:
bonds (distance) C4'-P energy: -108.552
bonds (distance) P-C4' energy: -121.403
flat angles C4'-P-C4' energy: -107.807
flat angles P-C4'-P energy: -47.270
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2408.789270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.789270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.789270 (E_RNA)
where:
Base-Base interactions energy: -1671.335
where: short stacking energy: -749.959
Base-Backbone interact. energy: -3.152
local terms energy: -734.302287
where:
bonds (distance) C4'-P energy: -129.466
bonds (distance) P-C4' energy: -141.828
flat angles C4'-P-C4' energy: -157.217
flat angles P-C4'-P energy: -98.301
tors. eta vs tors. theta energy: -207.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2292.142535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.142535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.142535 (E_RNA)
where:
Base-Base interactions energy: -1584.665
where: short stacking energy: -684.727
Base-Backbone interact. energy: -0.521
local terms energy: -706.955780
where:
bonds (distance) C4'-P energy: -137.544
bonds (distance) P-C4' energy: -144.197
flat angles C4'-P-C4' energy: -153.770
flat angles P-C4'-P energy: -101.046
tors. eta vs tors. theta energy: -170.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2041.391649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.391649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.391649 (E_RNA)
where:
Base-Base interactions energy: -1400.766
where: short stacking energy: -611.634
Base-Backbone interact. energy: -2.894
local terms energy: -637.732179
where:
bonds (distance) C4'-P energy: -128.550
bonds (distance) P-C4' energy: -124.602
flat angles C4'-P-C4' energy: -156.684
flat angles P-C4'-P energy: -72.069
tors. eta vs tors. theta energy: -155.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1979.002512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.002512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.002512 (E_RNA)
where:
Base-Base interactions energy: -1331.301
where: short stacking energy: -592.805
Base-Backbone interact. energy: -0.833
local terms energy: -646.867766
where:
bonds (distance) C4'-P energy: -110.044
bonds (distance) P-C4' energy: -138.048
flat angles C4'-P-C4' energy: -144.422
flat angles P-C4'-P energy: -105.928
tors. eta vs tors. theta energy: -148.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1923.270961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.270961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.270961 (E_RNA)
where:
Base-Base interactions energy: -1302.885
where: short stacking energy: -591.489
Base-Backbone interact. energy: -0.828
local terms energy: -619.558405
where:
bonds (distance) C4'-P energy: -121.433
bonds (distance) P-C4' energy: -116.022
flat angles C4'-P-C4' energy: -142.860
flat angles P-C4'-P energy: -88.766
tors. eta vs tors. theta energy: -150.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1668.272772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.272772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.272772 (E_RNA)
where:
Base-Base interactions energy: -1113.309
where: short stacking energy: -519.750
Base-Backbone interact. energy: -1.768
local terms energy: -553.195837
where:
bonds (distance) C4'-P energy: -104.869
bonds (distance) P-C4' energy: -119.428
flat angles C4'-P-C4' energy: -134.553
flat angles P-C4'-P energy: -78.473
tors. eta vs tors. theta energy: -115.873
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1508.085591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.085591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.085591 (E_RNA)
where:
Base-Base interactions energy: -984.648
where: short stacking energy: -476.339
Base-Backbone interact. energy: 9.089
local terms energy: -532.526451
where:
bonds (distance) C4'-P energy: -104.378
bonds (distance) P-C4' energy: -121.616
flat angles C4'-P-C4' energy: -126.143
flat angles P-C4'-P energy: -70.169
tors. eta vs tors. theta energy: -110.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1371.368269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.368269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.368269 (E_RNA)
where:
Base-Base interactions energy: -903.763
where: short stacking energy: -425.122
Base-Backbone interact. energy: -2.597
local terms energy: -465.007944
where:
bonds (distance) C4'-P energy: -111.413
bonds (distance) P-C4' energy: -113.996
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -47.216
tors. eta vs tors. theta energy: -80.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -841.094707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.094707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.094707 (E_RNA)
where:
Base-Base interactions energy: -449.155
where: short stacking energy: -259.852
Base-Backbone interact. energy: 3.789
local terms energy: -395.727938
where:
bonds (distance) C4'-P energy: -102.506
bonds (distance) P-C4' energy: -123.488
flat angles C4'-P-C4' energy: -93.315
flat angles P-C4'-P energy: -63.017
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -760.323864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.323864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.323864 (E_RNA)
where:
Base-Base interactions energy: -354.314
where: short stacking energy: -230.268
Base-Backbone interact. energy: 4.241
local terms energy: -410.250952
where:
bonds (distance) C4'-P energy: -98.808
bonds (distance) P-C4' energy: -115.567
flat angles C4'-P-C4' energy: -110.729
flat angles P-C4'-P energy: -73.125
tors. eta vs tors. theta energy: -12.022
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: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2411.741351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.741351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.741351 (E_RNA)
where:
Base-Base interactions energy: -1653.231
where: short stacking energy: -736.166
Base-Backbone interact. energy: 1.734
local terms energy: -760.244261
where:
bonds (distance) C4'-P energy: -144.479
bonds (distance) P-C4' energy: -147.630
flat angles C4'-P-C4' energy: -147.849
flat angles P-C4'-P energy: -114.667
tors. eta vs tors. theta energy: -205.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2279.884150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.884150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.884150 (E_RNA)
where:
Base-Base interactions energy: -1588.169
where: short stacking energy: -659.189
Base-Backbone interact. energy: -3.514
local terms energy: -688.201134
where:
bonds (distance) C4'-P energy: -138.395
bonds (distance) P-C4' energy: -126.676
flat angles C4'-P-C4' energy: -158.611
flat angles P-C4'-P energy: -103.236
tors. eta vs tors. theta energy: -161.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2084.468242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.468242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.468242 (E_RNA)
where:
Base-Base interactions energy: -1438.145
where: short stacking energy: -612.742
Base-Backbone interact. energy: -3.601
local terms energy: -642.722501
where:
bonds (distance) C4'-P energy: -130.067
bonds (distance) P-C4' energy: -126.693
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -83.478
tors. eta vs tors. theta energy: -159.271
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: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2068.250623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.250623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.250623 (E_RNA)
where:
Base-Base interactions energy: -1416.564
where: short stacking energy: -612.277
Base-Backbone interact. energy: -3.907
local terms energy: -647.780083
where:
bonds (distance) C4'-P energy: -116.104
bonds (distance) P-C4' energy: -119.504
flat angles C4'-P-C4' energy: -153.026
flat angles P-C4'-P energy: -97.573
tors. eta vs tors. theta energy: -161.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1930.042849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.042849 (E_RNA)
where:
Base-Base interactions energy: -1302.123
where: short stacking energy: -586.476
Base-Backbone interact. energy: -2.816
local terms energy: -625.103649
where:
bonds (distance) C4'-P energy: -112.340
bonds (distance) P-C4' energy: -122.202
flat angles C4'-P-C4' energy: -146.877
flat angles P-C4'-P energy: -95.735
tors. eta vs tors. theta energy: -147.949
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1779.840778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.840778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.840778 (E_RNA)
where:
Base-Base interactions energy: -1203.943
where: short stacking energy: -563.674
Base-Backbone interact. energy: -0.262
local terms energy: -575.635583
where:
bonds (distance) C4'-P energy: -116.792
bonds (distance) P-C4' energy: -118.245
flat angles C4'-P-C4' energy: -138.156
flat angles P-C4'-P energy: -86.533
tors. eta vs tors. theta energy: -115.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1539.761360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.761360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.761360 (E_RNA)
where:
Base-Base interactions energy: -1017.336
where: short stacking energy: -458.616
Base-Backbone interact. energy: 0.963
local terms energy: -523.388537
where:
bonds (distance) C4'-P energy: -123.743
bonds (distance) P-C4' energy: -121.114
flat angles C4'-P-C4' energy: -127.058
flat angles P-C4'-P energy: -62.406
tors. eta vs tors. theta energy: -89.067
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: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1346.966714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.966714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.966714 (E_RNA)
where:
Base-Base interactions energy: -868.012
where: short stacking energy: -377.115
Base-Backbone interact. energy: -0.033
local terms energy: -478.921501
where:
bonds (distance) C4'-P energy: -108.025
bonds (distance) P-C4' energy: -136.966
flat angles C4'-P-C4' energy: -107.759
flat angles P-C4'-P energy: -61.370
tors. eta vs tors. theta energy: -64.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -817.110440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.110440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.110440 (E_RNA)
where:
Base-Base interactions energy: -432.687
where: short stacking energy: -264.679
Base-Backbone interact. energy: -4.243
local terms energy: -380.179924
where:
bonds (distance) C4'-P energy: -107.227
bonds (distance) P-C4' energy: -105.296
flat angles C4'-P-C4' energy: -108.837
flat angles P-C4'-P energy: -40.220
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -708.037659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.037659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.037659 (E_RNA)
where:
Base-Base interactions energy: -339.527
where: short stacking energy: -205.552
Base-Backbone interact. energy: 1.727
local terms energy: -370.238315
where:
bonds (distance) C4'-P energy: -91.682
bonds (distance) P-C4' energy: -113.911
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -64.681
tors. eta vs tors. theta energy: 7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2406.003066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.003066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.003066 (E_RNA)
where:
Base-Base interactions energy: -1636.357
where: short stacking energy: -751.033
Base-Backbone interact. energy: -1.952
local terms energy: -767.694247
where:
bonds (distance) C4'-P energy: -136.301
bonds (distance) P-C4' energy: -140.090
flat angles C4'-P-C4' energy: -172.059
flat angles P-C4'-P energy: -111.553
tors. eta vs tors. theta energy: -207.691
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: 56
Temperature: 0.950000
Total energy: -2282.136068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.136068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.136068 (E_RNA)
where:
Base-Base interactions energy: -1590.069
where: short stacking energy: -695.429
Base-Backbone interact. energy: 0.335
local terms energy: -692.401235
where:
bonds (distance) C4'-P energy: -123.098
bonds (distance) P-C4' energy: -133.888
flat angles C4'-P-C4' energy: -148.139
flat angles P-C4'-P energy: -105.175
tors. eta vs tors. theta energy: -182.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2101.373043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.373043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.373043 (E_RNA)
where:
Base-Base interactions energy: -1427.932
where: short stacking energy: -604.216
Base-Backbone interact. energy: -2.956
local terms energy: -670.484975
where:
bonds (distance) C4'-P energy: -129.568
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -149.452
flat angles P-C4'-P energy: -91.514
tors. eta vs tors. theta energy: -161.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1977.650171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.650171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.650171 (E_RNA)
where:
Base-Base interactions energy: -1364.618
where: short stacking energy: -587.610
Base-Backbone interact. energy: -8.334
local terms energy: -604.698399
where:
bonds (distance) C4'-P energy: -124.184
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -136.083
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -140.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1904.126177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.126177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.126177 (E_RNA)
where:
Base-Base interactions energy: -1272.015
where: short stacking energy: -586.596
Base-Backbone interact. energy: 2.143
local terms energy: -634.254953
where:
bonds (distance) C4'-P energy: -126.111
bonds (distance) P-C4' energy: -135.195
flat angles C4'-P-C4' energy: -144.429
flat angles P-C4'-P energy: -81.585
tors. eta vs tors. theta energy: -146.934
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: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1801.812139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.812139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.812139 (E_RNA)
where:
Base-Base interactions energy: -1217.405
where: short stacking energy: -565.233
Base-Backbone interact. energy: -1.773
local terms energy: -582.634153
where:
bonds (distance) C4'-P energy: -113.035
bonds (distance) P-C4' energy: -110.145
flat angles C4'-P-C4' energy: -130.498
flat angles P-C4'-P energy: -85.636
tors. eta vs tors. theta energy: -143.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1526.730359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.730359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.730359 (E_RNA)
where:
Base-Base interactions energy: -1002.634
where: short stacking energy: -449.685
Base-Backbone interact. energy: 2.168
local terms energy: -526.264296
where:
bonds (distance) C4'-P energy: -109.155
bonds (distance) P-C4' energy: -118.534
flat angles C4'-P-C4' energy: -124.841
flat angles P-C4'-P energy: -81.132
tors. eta vs tors. theta energy: -92.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1304.363844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.363844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.363844 (E_RNA)
where:
Base-Base interactions energy: -860.904
where: short stacking energy: -399.376
Base-Backbone interact. energy: -2.773
local terms energy: -440.686901
where:
bonds (distance) C4'-P energy: -111.433
bonds (distance) P-C4' energy: -97.615
flat angles C4'-P-C4' energy: -112.382
flat angles P-C4'-P energy: -54.974
tors. eta vs tors. theta energy: -64.282
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: 9, replica: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -839.955485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.955485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.955485 (E_RNA)
where:
Base-Base interactions energy: -438.307
where: short stacking energy: -256.842
Base-Backbone interact. energy: -0.162
local terms energy: -401.487250
where:
bonds (distance) C4'-P energy: -98.854
bonds (distance) P-C4' energy: -122.115
flat angles C4'-P-C4' energy: -105.642
flat angles P-C4'-P energy: -58.977
tors. eta vs tors. theta energy: -15.900
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: 56
Temperature: 1.350000
Total energy: -728.270769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.270769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.270769 (E_RNA)
where:
Base-Base interactions energy: -346.253
where: short stacking energy: -223.972
Base-Backbone interact. energy: -1.093
local terms energy: -380.924715
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -110.886
flat angles C4'-P-C4' energy: -84.441
flat angles P-C4'-P energy: -81.438
tors. eta vs tors. theta energy: 2.194
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: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2430.869346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.869346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.869346 (E_RNA)
where:
Base-Base interactions energy: -1686.808
where: short stacking energy: -742.435
Base-Backbone interact. energy: -2.078
local terms energy: -741.983968
where:
bonds (distance) C4'-P energy: -138.089
bonds (distance) P-C4' energy: -142.470
flat angles C4'-P-C4' energy: -158.557
flat angles P-C4'-P energy: -97.249
tors. eta vs tors. theta energy: -205.620
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: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2278.086674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.086674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.086674 (E_RNA)
where:
Base-Base interactions energy: -1577.640
where: short stacking energy: -664.864
Base-Backbone interact. energy: -3.469
local terms energy: -696.978004
where:
bonds (distance) C4'-P energy: -141.303
bonds (distance) P-C4' energy: -130.088
flat angles C4'-P-C4' energy: -143.844
flat angles P-C4'-P energy: -104.470
tors. eta vs tors. theta energy: -177.272
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: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2097.812408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.812408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.812408 (E_RNA)
where:
Base-Base interactions energy: -1437.145
where: short stacking energy: -646.675
Base-Backbone interact. energy: 0.040
local terms energy: -660.707688
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -138.731
flat angles C4'-P-C4' energy: -140.540
flat angles P-C4'-P energy: -84.714
tors. eta vs tors. theta energy: -169.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1934.463094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.463094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.463094 (E_RNA)
where:
Base-Base interactions energy: -1296.499
where: short stacking energy: -566.327
Base-Backbone interact. energy: -2.345
local terms energy: -635.618999
where:
bonds (distance) C4'-P energy: -125.990
bonds (distance) P-C4' energy: -142.984
flat angles C4'-P-C4' energy: -152.235
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -145.968
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: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1912.447541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.447541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.447541 (E_RNA)
where:
Base-Base interactions energy: -1316.092
where: short stacking energy: -575.697
Base-Backbone interact. energy: 2.772
local terms energy: -599.127094
where:
bonds (distance) C4'-P energy: -123.017
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -134.337
flat angles P-C4'-P energy: -83.500
tors. eta vs tors. theta energy: -140.091
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: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1847.696981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.696981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.696981 (E_RNA)
where:
Base-Base interactions energy: -1237.942
where: short stacking energy: -575.554
Base-Backbone interact. energy: -1.464
local terms energy: -608.290731
where:
bonds (distance) C4'-P energy: -101.374
bonds (distance) P-C4' energy: -131.842
flat angles C4'-P-C4' energy: -133.388
flat angles P-C4'-P energy: -82.954
tors. eta vs tors. theta energy: -158.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1626.682914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.682914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.682914 (E_RNA)
where:
Base-Base interactions energy: -1086.718
where: short stacking energy: -465.696
Base-Backbone interact. energy: -0.560
local terms energy: -539.404265
where:
bonds (distance) C4'-P energy: -107.854
bonds (distance) P-C4' energy: -119.976
flat angles C4'-P-C4' energy: -133.530
flat angles P-C4'-P energy: -63.856
tors. eta vs tors. theta energy: -114.188
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: 8
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1296.030127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.030127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.030127 (E_RNA)
where:
Base-Base interactions energy: -813.061
where: short stacking energy: -379.614
Base-Backbone interact. energy: -1.248
local terms energy: -481.720947
where:
bonds (distance) C4'-P energy: -130.385
bonds (distance) P-C4' energy: -107.577
flat angles C4'-P-C4' energy: -101.299
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: -67.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -942.707314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.707314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.707314 (E_RNA)
where:
Base-Base interactions energy: -512.797
where: short stacking energy: -296.588
Base-Backbone interact. energy: 2.684
local terms energy: -432.594121
where:
bonds (distance) C4'-P energy: -90.364
bonds (distance) P-C4' energy: -115.590
flat angles C4'-P-C4' energy: -120.709
flat angles P-C4'-P energy: -65.979
tors. eta vs tors. theta energy: -39.952
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: 57
Temperature: 1.350000
Total energy: -734.990732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.990732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.990732 (E_RNA)
where:
Base-Base interactions energy: -333.316
where: short stacking energy: -216.778
Base-Backbone interact. energy: -1.015
local terms energy: -400.659274
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -122.181
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -69.289
tors. eta vs tors. theta energy: -0.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2452.136287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.136287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.136287 (E_RNA)
where:
Base-Base interactions energy: -1678.922
where: short stacking energy: -726.445
Base-Backbone interact. energy: -1.553
local terms energy: -771.661274
where:
bonds (distance) C4'-P energy: -147.237
bonds (distance) P-C4' energy: -142.141
flat angles C4'-P-C4' energy: -165.512
flat angles P-C4'-P energy: -108.210
tors. eta vs tors. theta energy: -208.561
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: 2, replica: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2298.234636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.234636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.234636 (E_RNA)
where:
Base-Base interactions energy: -1600.647
where: short stacking energy: -698.493
Base-Backbone interact. energy: 0.453
local terms energy: -698.041305
where:
bonds (distance) C4'-P energy: -134.308
bonds (distance) P-C4' energy: -143.268
flat angles C4'-P-C4' energy: -148.470
flat angles P-C4'-P energy: -100.139
tors. eta vs tors. theta energy: -171.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2107.656794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.656794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.656794 (E_RNA)
where:
Base-Base interactions energy: -1443.944
where: short stacking energy: -636.290
Base-Backbone interact. energy: 0.258
local terms energy: -663.971559
where:
bonds (distance) C4'-P energy: -144.196
bonds (distance) P-C4' energy: -108.593
flat angles C4'-P-C4' energy: -149.598
flat angles P-C4'-P energy: -100.545
tors. eta vs tors. theta energy: -161.040
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: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1940.422006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.422006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.422006 (E_RNA)
where:
Base-Base interactions energy: -1300.757
where: short stacking energy: -613.260
Base-Backbone interact. energy: 4.383
local terms energy: -644.047596
where:
bonds (distance) C4'-P energy: -116.646
bonds (distance) P-C4' energy: -141.015
flat angles C4'-P-C4' energy: -145.785
flat angles P-C4'-P energy: -92.117
tors. eta vs tors. theta energy: -148.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1913.996030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.996030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.996030 (E_RNA)
where:
Base-Base interactions energy: -1317.332
where: short stacking energy: -599.076
Base-Backbone interact. energy: 2.349
local terms energy: -599.012888
where:
bonds (distance) C4'-P energy: -109.497
bonds (distance) P-C4' energy: -117.440
flat angles C4'-P-C4' energy: -149.962
flat angles P-C4'-P energy: -77.258
tors. eta vs tors. theta energy: -144.856
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: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1817.801174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.801174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.801174 (E_RNA)
where:
Base-Base interactions energy: -1216.450
where: short stacking energy: -508.286
Base-Backbone interact. energy: -1.832
local terms energy: -599.519706
where:
bonds (distance) C4'-P energy: -131.769
bonds (distance) P-C4' energy: -119.696
flat angles C4'-P-C4' energy: -116.440
flat angles P-C4'-P energy: -95.548
tors. eta vs tors. theta energy: -136.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1670.982457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.982457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.982457 (E_RNA)
where:
Base-Base interactions energy: -1101.977
where: short stacking energy: -492.473
Base-Backbone interact. energy: 1.143
local terms energy: -570.147894
where:
bonds (distance) C4'-P energy: -135.807
bonds (distance) P-C4' energy: -127.731
flat angles C4'-P-C4' energy: -122.279
flat angles P-C4'-P energy: -84.573
tors. eta vs tors. theta energy: -99.758
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: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1268.301218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.301218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.301218 (E_RNA)
where:
Base-Base interactions energy: -796.465
where: short stacking energy: -368.438
Base-Backbone interact. energy: -3.133
local terms energy: -468.703323
where:
bonds (distance) C4'-P energy: -119.137
bonds (distance) P-C4' energy: -103.907
flat angles C4'-P-C4' energy: -119.822
flat angles P-C4'-P energy: -60.498
tors. eta vs tors. theta energy: -65.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -920.623391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.623391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.623391 (E_RNA)
where:
Base-Base interactions energy: -525.613
where: short stacking energy: -292.346
Base-Backbone interact. energy: -3.318
local terms energy: -391.692383
where:
bonds (distance) C4'-P energy: -110.162
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -83.399
flat angles P-C4'-P energy: -40.401
tors. eta vs tors. theta energy: -33.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -783.581725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.581725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.581725 (E_RNA)
where:
Base-Base interactions energy: -389.374
where: short stacking energy: -224.921
Base-Backbone interact. energy: -2.103
local terms energy: -392.104955
where:
bonds (distance) C4'-P energy: -95.668
bonds (distance) P-C4' energy: -117.118
flat angles C4'-P-C4' energy: -103.924
flat angles P-C4'-P energy: -75.842
tors. eta vs tors. theta energy: 0.447
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: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2432.905615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.905615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.905615 (E_RNA)
where:
Base-Base interactions energy: -1689.195
where: short stacking energy: -732.934
Base-Backbone interact. energy: -2.259
local terms energy: -741.451901
where:
bonds (distance) C4'-P energy: -133.218
bonds (distance) P-C4' energy: -132.451
flat angles C4'-P-C4' energy: -156.987
flat angles P-C4'-P energy: -109.626
tors. eta vs tors. theta energy: -209.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2285.869171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.869171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.869171 (E_RNA)
where:
Base-Base interactions energy: -1604.702
where: short stacking energy: -691.200
Base-Backbone interact. energy: 0.432
local terms energy: -681.599080
where:
bonds (distance) C4'-P energy: -135.016
bonds (distance) P-C4' energy: -141.947
flat angles C4'-P-C4' energy: -143.177
flat angles P-C4'-P energy: -82.354
tors. eta vs tors. theta energy: -179.104
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2132.460243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.460243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.460243 (E_RNA)
where:
Base-Base interactions energy: -1481.736
where: short stacking energy: -639.144
Base-Backbone interact. energy: -5.104
local terms energy: -645.619508
where:
bonds (distance) C4'-P energy: -120.876
bonds (distance) P-C4' energy: -120.214
flat angles C4'-P-C4' energy: -146.107
flat angles P-C4'-P energy: -95.402
tors. eta vs tors. theta energy: -163.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1923.354551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.354551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.354551 (E_RNA)
where:
Base-Base interactions energy: -1313.550
where: short stacking energy: -610.080
Base-Backbone interact. energy: -2.600
local terms energy: -607.204070
where:
bonds (distance) C4'-P energy: -112.199
bonds (distance) P-C4' energy: -120.633
flat angles C4'-P-C4' energy: -131.074
flat angles P-C4'-P energy: -85.552
tors. eta vs tors. theta energy: -157.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1964.034312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.034312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.034312 (E_RNA)
where:
Base-Base interactions energy: -1331.785
where: short stacking energy: -568.439
Base-Backbone interact. energy: 2.070
local terms energy: -634.319068
where:
bonds (distance) C4'-P energy: -121.410
bonds (distance) P-C4' energy: -118.546
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -166.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1886.905084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.905084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.905084 (E_RNA)
where:
Base-Base interactions energy: -1307.735
where: short stacking energy: -553.225
Base-Backbone interact. energy: -3.141
local terms energy: -576.029099
where:
bonds (distance) C4'-P energy: -126.463
bonds (distance) P-C4' energy: -112.572
flat angles C4'-P-C4' energy: -124.985
flat angles P-C4'-P energy: -82.295
tors. eta vs tors. theta energy: -129.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1667.649752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.649752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.649752 (E_RNA)
where:
Base-Base interactions energy: -1101.268
where: short stacking energy: -481.973
Base-Backbone interact. energy: 4.286
local terms energy: -570.668073
where:
bonds (distance) C4'-P energy: -119.325
bonds (distance) P-C4' energy: -133.598
flat angles C4'-P-C4' energy: -133.354
flat angles P-C4'-P energy: -77.179
tors. eta vs tors. theta energy: -107.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1310.943195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.943195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.943195 (E_RNA)
where:
Base-Base interactions energy: -799.185
where: short stacking energy: -367.760
Base-Backbone interact. energy: -3.318
local terms energy: -508.440568
where:
bonds (distance) C4'-P energy: -117.110
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -127.258
flat angles P-C4'-P energy: -71.628
tors. eta vs tors. theta energy: -71.952
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: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -948.839697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.839697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.839697 (E_RNA)
where:
Base-Base interactions energy: -545.708
where: short stacking energy: -264.156
Base-Backbone interact. energy: -2.642
local terms energy: -400.489532
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -121.852
flat angles C4'-P-C4' energy: -92.460
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -25.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -749.040959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.040959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.040959 (E_RNA)
where:
Base-Base interactions energy: -394.179
where: short stacking energy: -220.030
Base-Backbone interact. energy: -0.348
local terms energy: -354.514032
where:
bonds (distance) C4'-P energy: -101.931
bonds (distance) P-C4' energy: -117.397
flat angles C4'-P-C4' energy: -100.854
flat angles P-C4'-P energy: -52.850
tors. eta vs tors. theta energy: 18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2481.287679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.287679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.287679 (E_RNA)
where:
Base-Base interactions energy: -1695.102
where: short stacking energy: -779.305
Base-Backbone interact. energy: 2.151
local terms energy: -788.336638
where:
bonds (distance) C4'-P energy: -141.324
bonds (distance) P-C4' energy: -152.962
flat angles C4'-P-C4' energy: -165.853
flat angles P-C4'-P energy: -110.300
tors. eta vs tors. theta energy: -217.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2342.499845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.499845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.499845 (E_RNA)
where:
Base-Base interactions energy: -1649.668
where: short stacking energy: -695.248
Base-Backbone interact. energy: -4.016
local terms energy: -688.816621
where:
bonds (distance) C4'-P energy: -133.245
bonds (distance) P-C4' energy: -131.401
flat angles C4'-P-C4' energy: -158.467
flat angles P-C4'-P energy: -87.496
tors. eta vs tors. theta energy: -178.207
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: 3, replica: 4
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -2126.803212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.803212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.803212 (E_RNA)
where:
Base-Base interactions energy: -1463.333
where: short stacking energy: -617.928
Base-Backbone interact. energy: -1.868
local terms energy: -661.601768
where:
bonds (distance) C4'-P energy: -132.844
bonds (distance) P-C4' energy: -139.641
flat angles C4'-P-C4' energy: -142.670
flat angles P-C4'-P energy: -79.968
tors. eta vs tors. theta energy: -166.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1960.614436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.614436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.614436 (E_RNA)
where:
Base-Base interactions energy: -1324.084
where: short stacking energy: -606.859
Base-Backbone interact. energy: 6.637
local terms energy: -643.168259
where:
bonds (distance) C4'-P energy: -122.054
bonds (distance) P-C4' energy: -137.402
flat angles C4'-P-C4' energy: -151.483
flat angles P-C4'-P energy: -86.258
tors. eta vs tors. theta energy: -145.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1961.594097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.594097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.594097 (E_RNA)
where:
Base-Base interactions energy: -1328.977
where: short stacking energy: -597.226
Base-Backbone interact. energy: -0.419
local terms energy: -632.198089
where:
bonds (distance) C4'-P energy: -124.927
bonds (distance) P-C4' energy: -112.436
flat angles C4'-P-C4' energy: -156.006
flat angles P-C4'-P energy: -89.413
tors. eta vs tors. theta energy: -149.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1814.239264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.239264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.239264 (E_RNA)
where:
Base-Base interactions energy: -1221.727
where: short stacking energy: -545.708
Base-Backbone interact. energy: -4.219
local terms energy: -588.293980
where:
bonds (distance) C4'-P energy: -108.259
bonds (distance) P-C4' energy: -133.083
flat angles C4'-P-C4' energy: -130.439
flat angles P-C4'-P energy: -85.132
tors. eta vs tors. theta energy: -131.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1668.132264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.132264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.132264 (E_RNA)
where:
Base-Base interactions energy: -1112.170
where: short stacking energy: -498.622
Base-Backbone interact. energy: 3.756
local terms energy: -559.717961
where:
bonds (distance) C4'-P energy: -114.142
bonds (distance) P-C4' energy: -118.636
flat angles C4'-P-C4' energy: -135.181
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -121.042
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: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1258.086923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.086923 (E_RNA)
where:
Base-Base interactions energy: -789.875
where: short stacking energy: -364.314
Base-Backbone interact. energy: -0.571
local terms energy: -467.640975
where:
bonds (distance) C4'-P energy: -96.182
bonds (distance) P-C4' energy: -110.369
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -72.542
tors. eta vs tors. theta energy: -62.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -951.513462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.513462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.513462 (E_RNA)
where:
Base-Base interactions energy: -511.408
where: short stacking energy: -277.735
Base-Backbone interact. energy: 0.897
local terms energy: -441.001832
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -114.826
flat angles C4'-P-C4' energy: -117.614
flat angles P-C4'-P energy: -65.070
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -766.661283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.661283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.661283 (E_RNA)
where:
Base-Base interactions energy: -399.607
where: short stacking energy: -265.385
Base-Backbone interact. energy: 0.051
local terms energy: -367.105793
where:
bonds (distance) C4'-P energy: -94.667
bonds (distance) P-C4' energy: -95.744
flat angles C4'-P-C4' energy: -106.674
flat angles P-C4'-P energy: -64.429
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2424.002212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.002212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.002212 (E_RNA)
where:
Base-Base interactions energy: -1655.384
where: short stacking energy: -734.634
Base-Backbone interact. energy: -1.478
local terms energy: -767.140204
where:
bonds (distance) C4'-P energy: -153.846
bonds (distance) P-C4' energy: -137.706
flat angles C4'-P-C4' energy: -167.725
flat angles P-C4'-P energy: -107.824
tors. eta vs tors. theta energy: -200.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2278.237608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.237608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.237608 (E_RNA)
where:
Base-Base interactions energy: -1604.974
where: short stacking energy: -664.665
Base-Backbone interact. energy: -2.057
local terms energy: -671.206352
where:
bonds (distance) C4'-P energy: -127.925
bonds (distance) P-C4' energy: -146.777
flat angles C4'-P-C4' energy: -133.255
flat angles P-C4'-P energy: -87.668
tors. eta vs tors. theta energy: -175.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2185.728612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.728612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.728612 (E_RNA)
where:
Base-Base interactions energy: -1530.269
where: short stacking energy: -672.676
Base-Backbone interact. energy: -1.999
local terms energy: -653.460584
where:
bonds (distance) C4'-P energy: -116.151
bonds (distance) P-C4' energy: -117.213
flat angles C4'-P-C4' energy: -157.309
flat angles P-C4'-P energy: -89.740
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1952.342571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.342571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.342571 (E_RNA)
where:
Base-Base interactions energy: -1294.311
where: short stacking energy: -589.703
Base-Backbone interact. energy: -3.238
local terms energy: -654.793341
where:
bonds (distance) C4'-P energy: -133.542
bonds (distance) P-C4' energy: -130.061
flat angles C4'-P-C4' energy: -156.250
flat angles P-C4'-P energy: -82.027
tors. eta vs tors. theta energy: -152.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -2007.054228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.054228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.054228 (E_RNA)
where:
Base-Base interactions energy: -1370.203
where: short stacking energy: -617.301
Base-Backbone interact. energy: -1.221
local terms energy: -635.629700
where:
bonds (distance) C4'-P energy: -123.633
bonds (distance) P-C4' energy: -125.290
flat angles C4'-P-C4' energy: -133.766
flat angles P-C4'-P energy: -95.185
tors. eta vs tors. theta energy: -157.756
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: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1789.314048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.314048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.314048 (E_RNA)
where:
Base-Base interactions energy: -1226.636
where: short stacking energy: -552.984
Base-Backbone interact. energy: -1.521
local terms energy: -561.157423
where:
bonds (distance) C4'-P energy: -110.959
bonds (distance) P-C4' energy: -118.359
flat angles C4'-P-C4' energy: -122.721
flat angles P-C4'-P energy: -84.023
tors. eta vs tors. theta energy: -125.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1709.759623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.759623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.759623 (E_RNA)
where:
Base-Base interactions energy: -1142.309
where: short stacking energy: -525.814
Base-Backbone interact. energy: 4.495
local terms energy: -571.944864
where:
bonds (distance) C4'-P energy: -110.903
bonds (distance) P-C4' energy: -118.614
flat angles C4'-P-C4' energy: -135.648
flat angles P-C4'-P energy: -82.241
tors. eta vs tors. theta energy: -124.538
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: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1249.529504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.529504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.529504 (E_RNA)
where:
Base-Base interactions energy: -771.387
where: short stacking energy: -359.044
Base-Backbone interact. energy: 6.083
local terms energy: -484.225615
where:
bonds (distance) C4'-P energy: -128.748
bonds (distance) P-C4' energy: -107.485
flat angles C4'-P-C4' energy: -116.967
flat angles P-C4'-P energy: -71.073
tors. eta vs tors. theta energy: -59.952
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: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -953.274184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.274184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.274184 (E_RNA)
where:
Base-Base interactions energy: -555.746
where: short stacking energy: -277.879
Base-Backbone interact. energy: -1.165
local terms energy: -396.362731
where:
bonds (distance) C4'-P energy: -85.890
bonds (distance) P-C4' energy: -125.019
flat angles C4'-P-C4' energy: -106.205
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -29.832
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: 61
Temperature: 1.350000
Total energy: -731.215148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.215148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.215148 (E_RNA)
where:
Base-Base interactions energy: -393.235
where: short stacking energy: -204.232
Base-Backbone interact. energy: 2.992
local terms energy: -340.972504
where:
bonds (distance) C4'-P energy: -101.670
bonds (distance) P-C4' energy: -111.363
flat angles C4'-P-C4' energy: -91.403
flat angles P-C4'-P energy: -58.958
tors. eta vs tors. theta energy: 22.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2440.175784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.175784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.175784 (E_RNA)
where:
Base-Base interactions energy: -1666.573
where: short stacking energy: -717.846
Base-Backbone interact. energy: -3.271
local terms energy: -770.331452
where:
bonds (distance) C4'-P energy: -147.796
bonds (distance) P-C4' energy: -149.672
flat angles C4'-P-C4' energy: -155.756
flat angles P-C4'-P energy: -113.761
tors. eta vs tors. theta energy: -203.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2290.539560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.539560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.539560 (E_RNA)
where:
Base-Base interactions energy: -1598.486
where: short stacking energy: -686.393
Base-Backbone interact. energy: -3.720
local terms energy: -688.334120
where:
bonds (distance) C4'-P energy: -128.979
bonds (distance) P-C4' energy: -134.927
flat angles C4'-P-C4' energy: -137.223
flat angles P-C4'-P energy: -93.983
tors. eta vs tors. theta energy: -193.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2215.429168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.429168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.429168 (E_RNA)
where:
Base-Base interactions energy: -1507.029
where: short stacking energy: -661.045
Base-Backbone interact. energy: -1.903
local terms energy: -706.497414
where:
bonds (distance) C4'-P energy: -123.548
bonds (distance) P-C4' energy: -144.676
flat angles C4'-P-C4' energy: -159.790
flat angles P-C4'-P energy: -95.533
tors. eta vs tors. theta energy: -182.951
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1994.715938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.715938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.715938 (E_RNA)
where:
Base-Base interactions energy: -1334.740
where: short stacking energy: -583.825
Base-Backbone interact. energy: -2.111
local terms energy: -657.865662
where:
bonds (distance) C4'-P energy: -132.275
bonds (distance) P-C4' energy: -136.803
flat angles C4'-P-C4' energy: -145.696
flat angles P-C4'-P energy: -91.107
tors. eta vs tors. theta energy: -151.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1940.317667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.317667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.317667 (E_RNA)
where:
Base-Base interactions energy: -1319.159
where: short stacking energy: -584.545
Base-Backbone interact. energy: -1.513
local terms energy: -619.645430
where:
bonds (distance) C4'-P energy: -125.237
bonds (distance) P-C4' energy: -121.844
flat angles C4'-P-C4' energy: -140.148
flat angles P-C4'-P energy: -79.002
tors. eta vs tors. theta energy: -153.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1788.034101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.034101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.034101 (E_RNA)
where:
Base-Base interactions energy: -1226.177
where: short stacking energy: -532.937
Base-Backbone interact. energy: -1.037
local terms energy: -560.820098
where:
bonds (distance) C4'-P energy: -109.667
bonds (distance) P-C4' energy: -128.440
flat angles C4'-P-C4' energy: -135.029
flat angles P-C4'-P energy: -81.867
tors. eta vs tors. theta energy: -105.817
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: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1709.756994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.756994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.756994 (E_RNA)
where:
Base-Base interactions energy: -1129.702
where: short stacking energy: -519.704
Base-Backbone interact. energy: -0.967
local terms energy: -579.088084
where:
bonds (distance) C4'-P energy: -118.132
bonds (distance) P-C4' energy: -126.336
flat angles C4'-P-C4' energy: -123.226
flat angles P-C4'-P energy: -74.031
tors. eta vs tors. theta energy: -137.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1269.473476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.473476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.473476 (E_RNA)
where:
Base-Base interactions energy: -742.828
where: short stacking energy: -373.836
Base-Backbone interact. energy: -0.775
local terms energy: -525.870192
where:
bonds (distance) C4'-P energy: -109.355
bonds (distance) P-C4' energy: -125.781
flat angles C4'-P-C4' energy: -122.795
flat angles P-C4'-P energy: -92.834
tors. eta vs tors. theta energy: -75.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -981.355484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.355484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.355484 (E_RNA)
where:
Base-Base interactions energy: -582.333
where: short stacking energy: -291.606
Base-Backbone interact. energy: -0.947
local terms energy: -398.075383
where:
bonds (distance) C4'-P energy: -103.977
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -90.787
flat angles P-C4'-P energy: -60.275
tors. eta vs tors. theta energy: -23.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -702.982547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.982547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.982547 (E_RNA)
where:
Base-Base interactions energy: -307.956
where: short stacking energy: -211.649
Base-Backbone interact. energy: -0.577
local terms energy: -394.449465
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -116.055
flat angles C4'-P-C4' energy: -99.357
flat angles P-C4'-P energy: -67.296
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2418.343632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.343632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.343632 (E_RNA)
where:
Base-Base interactions energy: -1683.727
where: short stacking energy: -742.478
Base-Backbone interact. energy: -1.963
local terms energy: -732.653410
where:
bonds (distance) C4'-P energy: -127.817
bonds (distance) P-C4' energy: -128.864
flat angles C4'-P-C4' energy: -161.826
flat angles P-C4'-P energy: -103.922
tors. eta vs tors. theta energy: -210.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2217.676399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.676399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.676399 (E_RNA)
where:
Base-Base interactions energy: -1518.420
where: short stacking energy: -658.696
Base-Backbone interact. energy: -2.944
local terms energy: -696.312945
where:
bonds (distance) C4'-P energy: -137.401
bonds (distance) P-C4' energy: -140.428
flat angles C4'-P-C4' energy: -154.479
flat angles P-C4'-P energy: -99.480
tors. eta vs tors. theta energy: -164.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2220.412452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.412452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.412452 (E_RNA)
where:
Base-Base interactions energy: -1549.703
where: short stacking energy: -663.693
Base-Backbone interact. energy: -1.895
local terms energy: -668.814798
where:
bonds (distance) C4'-P energy: -118.377
bonds (distance) P-C4' energy: -134.130
flat angles C4'-P-C4' energy: -146.113
flat angles P-C4'-P energy: -98.501
tors. eta vs tors. theta energy: -171.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2123.532827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.532827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.532827 (E_RNA)
where:
Base-Base interactions energy: -1468.261
where: short stacking energy: -651.145
Base-Backbone interact. energy: -2.350
local terms energy: -652.921382
where:
bonds (distance) C4'-P energy: -128.653
bonds (distance) P-C4' energy: -127.843
flat angles C4'-P-C4' energy: -149.056
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -168.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1935.567985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.567985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.567985 (E_RNA)
where:
Base-Base interactions energy: -1310.243
where: short stacking energy: -599.163
Base-Backbone interact. energy: 1.375
local terms energy: -626.699773
where:
bonds (distance) C4'-P energy: -131.489
bonds (distance) P-C4' energy: -126.149
flat angles C4'-P-C4' energy: -137.872
flat angles P-C4'-P energy: -86.079
tors. eta vs tors. theta energy: -145.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1827.911970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.911970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.911970 (E_RNA)
where:
Base-Base interactions energy: -1222.350
where: short stacking energy: -525.416
Base-Backbone interact. energy: -3.821
local terms energy: -601.741308
where:
bonds (distance) C4'-P energy: -111.816
bonds (distance) P-C4' energy: -127.931
flat angles C4'-P-C4' energy: -132.166
flat angles P-C4'-P energy: -95.794
tors. eta vs tors. theta energy: -134.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1688.760032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.760032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.760032 (E_RNA)
where:
Base-Base interactions energy: -1111.307
where: short stacking energy: -517.643
Base-Backbone interact. energy: -1.895
local terms energy: -575.557831
where:
bonds (distance) C4'-P energy: -131.558
bonds (distance) P-C4' energy: -111.773
flat angles C4'-P-C4' energy: -133.258
flat angles P-C4'-P energy: -78.068
tors. eta vs tors. theta energy: -120.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1265.725644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.725644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.725644 (E_RNA)
where:
Base-Base interactions energy: -801.915
where: short stacking energy: -364.425
Base-Backbone interact. energy: 0.775
local terms energy: -464.585020
where:
bonds (distance) C4'-P energy: -114.524
bonds (distance) P-C4' energy: -124.883
flat angles C4'-P-C4' energy: -103.379
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -55.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1034.344705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.344705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.344705 (E_RNA)
where:
Base-Base interactions energy: -593.713
where: short stacking energy: -299.826
Base-Backbone interact. energy: 5.309
local terms energy: -445.940852
where:
bonds (distance) C4'-P energy: -101.080
bonds (distance) P-C4' energy: -129.419
flat angles C4'-P-C4' energy: -115.754
flat angles P-C4'-P energy: -58.794
tors. eta vs tors. theta energy: -40.894
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: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -695.967354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.967354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.967354 (E_RNA)
where:
Base-Base interactions energy: -339.829
where: short stacking energy: -221.023
Base-Backbone interact. energy: 4.130
local terms energy: -360.267853
where:
bonds (distance) C4'-P energy: -114.996
bonds (distance) P-C4' energy: -117.733
flat angles C4'-P-C4' energy: -103.102
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: 11.486
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: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2424.500296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.500296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.500296 (E_RNA)
where:
Base-Base interactions energy: -1672.990
where: short stacking energy: -753.301
Base-Backbone interact. energy: -1.039
local terms energy: -750.471333
where:
bonds (distance) C4'-P energy: -133.064
bonds (distance) P-C4' energy: -130.304
flat angles C4'-P-C4' energy: -170.473
flat angles P-C4'-P energy: -115.015
tors. eta vs tors. theta energy: -201.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2269.541069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.541069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.541069 (E_RNA)
where:
Base-Base interactions energy: -1538.088
where: short stacking energy: -678.994
Base-Backbone interact. energy: -6.276
local terms energy: -725.177084
where:
bonds (distance) C4'-P energy: -129.127
bonds (distance) P-C4' energy: -141.526
flat angles C4'-P-C4' energy: -165.446
flat angles P-C4'-P energy: -106.462
tors. eta vs tors. theta energy: -182.616
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: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2209.634048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.634048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.634048 (E_RNA)
where:
Base-Base interactions energy: -1541.140
where: short stacking energy: -641.743
Base-Backbone interact. energy: -1.878
local terms energy: -666.616534
where:
bonds (distance) C4'-P energy: -111.663
bonds (distance) P-C4' energy: -137.844
flat angles C4'-P-C4' energy: -143.090
flat angles P-C4'-P energy: -98.949
tors. eta vs tors. theta energy: -175.071
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: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2111.385523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.385523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.385523 (E_RNA)
where:
Base-Base interactions energy: -1463.568
where: short stacking energy: -652.524
Base-Backbone interact. energy: -0.004
local terms energy: -647.813390
where:
bonds (distance) C4'-P energy: -116.573
bonds (distance) P-C4' energy: -120.214
flat angles C4'-P-C4' energy: -144.314
flat angles P-C4'-P energy: -89.895
tors. eta vs tors. theta energy: -176.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1883.726168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.726168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.726168 (E_RNA)
where:
Base-Base interactions energy: -1274.801
where: short stacking energy: -575.549
Base-Backbone interact. energy: -2.227
local terms energy: -606.697974
where:
bonds (distance) C4'-P energy: -118.745
bonds (distance) P-C4' energy: -121.104
flat angles C4'-P-C4' energy: -129.016
flat angles P-C4'-P energy: -88.531
tors. eta vs tors. theta energy: -149.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1785.088313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.088313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.088313 (E_RNA)
where:
Base-Base interactions energy: -1240.076
where: short stacking energy: -545.723
Base-Backbone interact. energy: -3.118
local terms energy: -541.894833
where:
bonds (distance) C4'-P energy: -94.798
bonds (distance) P-C4' energy: -124.824
flat angles C4'-P-C4' energy: -128.867
flat angles P-C4'-P energy: -80.835
tors. eta vs tors. theta energy: -112.571
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1700.106649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.106649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.106649 (E_RNA)
where:
Base-Base interactions energy: -1130.644
where: short stacking energy: -493.012
Base-Backbone interact. energy: 1.019
local terms energy: -570.481314
where:
bonds (distance) C4'-P energy: -115.233
bonds (distance) P-C4' energy: -128.018
flat angles C4'-P-C4' energy: -120.100
flat angles P-C4'-P energy: -82.005
tors. eta vs tors. theta energy: -125.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1243.253207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.253207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.253207 (E_RNA)
where:
Base-Base interactions energy: -756.683
where: short stacking energy: -380.619
Base-Backbone interact. energy: -0.385
local terms energy: -486.185670
where:
bonds (distance) C4'-P energy: -116.509
bonds (distance) P-C4' energy: -113.471
flat angles C4'-P-C4' energy: -107.773
flat angles P-C4'-P energy: -71.363
tors. eta vs tors. theta energy: -77.070
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: -1037.229727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.229727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.229727 (E_RNA)
where:
Base-Base interactions energy: -617.685
where: short stacking energy: -325.026
Base-Backbone interact. energy: 4.566
local terms energy: -424.110976
where:
bonds (distance) C4'-P energy: -106.801
bonds (distance) P-C4' energy: -87.985
flat angles C4'-P-C4' energy: -101.744
flat angles P-C4'-P energy: -83.087
tors. eta vs tors. theta energy: -44.494
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: 64
Temperature: 1.350000
Total energy: -749.670130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.670130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.670130 (E_RNA)
where:
Base-Base interactions energy: -374.124
where: short stacking energy: -225.218
Base-Backbone interact. energy: 2.289
local terms energy: -377.835064
where:
bonds (distance) C4'-P energy: -98.944
bonds (distance) P-C4' energy: -121.160
flat angles C4'-P-C4' energy: -99.995
flat angles P-C4'-P energy: -60.237
tors. eta vs tors. theta energy: 2.501
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: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2429.632769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.632769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.632769 (E_RNA)
where:
Base-Base interactions energy: -1680.881
where: short stacking energy: -746.485
Base-Backbone interact. energy: -2.983
local terms energy: -745.768684
where:
bonds (distance) C4'-P energy: -132.931
bonds (distance) P-C4' energy: -130.362
flat angles C4'-P-C4' energy: -157.266
flat angles P-C4'-P energy: -115.564
tors. eta vs tors. theta energy: -209.646
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: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2290.628363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.628363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.628363 (E_RNA)
where:
Base-Base interactions energy: -1563.206
where: short stacking energy: -704.379
Base-Backbone interact. energy: 0.525
local terms energy: -727.947546
where:
bonds (distance) C4'-P energy: -139.571
bonds (distance) P-C4' energy: -129.994
flat angles C4'-P-C4' energy: -153.931
flat angles P-C4'-P energy: -105.982
tors. eta vs tors. theta energy: -198.470
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: 3, replica: 3
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2229.922553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.922553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.922553 (E_RNA)
where:
Base-Base interactions energy: -1564.097
where: short stacking energy: -666.006
Base-Backbone interact. energy: -3.801
local terms energy: -662.024812
where:
bonds (distance) C4'-P energy: -118.800
bonds (distance) P-C4' energy: -120.777
flat angles C4'-P-C4' energy: -153.788
flat angles P-C4'-P energy: -88.439
tors. eta vs tors. theta energy: -180.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2101.056453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.056453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.056453 (E_RNA)
where:
Base-Base interactions energy: -1438.504
where: short stacking energy: -655.033
Base-Backbone interact. energy: -0.407
local terms energy: -662.144630
where:
bonds (distance) C4'-P energy: -130.750
bonds (distance) P-C4' energy: -130.300
flat angles C4'-P-C4' energy: -138.494
flat angles P-C4'-P energy: -87.986
tors. eta vs tors. theta energy: -174.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1941.620746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.620746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.620746 (E_RNA)
where:
Base-Base interactions energy: -1299.157
where: short stacking energy: -591.173
Base-Backbone interact. energy: -4.812
local terms energy: -637.651829
where:
bonds (distance) C4'-P energy: -129.815
bonds (distance) P-C4' energy: -122.000
flat angles C4'-P-C4' energy: -137.016
flat angles P-C4'-P energy: -99.053
tors. eta vs tors. theta energy: -149.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1853.629585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.629585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.629585 (E_RNA)
where:
Base-Base interactions energy: -1260.206
where: short stacking energy: -547.418
Base-Backbone interact. energy: -4.964
local terms energy: -588.459367
where:
bonds (distance) C4'-P energy: -117.622
bonds (distance) P-C4' energy: -124.052
flat angles C4'-P-C4' energy: -133.860
flat angles P-C4'-P energy: -85.180
tors. eta vs tors. theta energy: -127.745
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: 65
Temperature: 1.200000
Total energy: -1723.363456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.363456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.363456 (E_RNA)
where:
Base-Base interactions energy: -1148.060
where: short stacking energy: -514.805
Base-Backbone interact. energy: -1.701
local terms energy: -573.602354
where:
bonds (distance) C4'-P energy: -109.433
bonds (distance) P-C4' energy: -117.044
flat angles C4'-P-C4' energy: -139.692
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -122.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1274.185823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.185823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.185823 (E_RNA)
where:
Base-Base interactions energy: -816.462
where: short stacking energy: -359.147
Base-Backbone interact. energy: 5.150
local terms energy: -462.873665
where:
bonds (distance) C4'-P energy: -110.940
bonds (distance) P-C4' energy: -101.439
flat angles C4'-P-C4' energy: -111.179
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -65.586
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: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1098.411214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.411214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.411214 (E_RNA)
where:
Base-Base interactions energy: -677.131
where: short stacking energy: -335.093
Base-Backbone interact. energy: -2.573
local terms energy: -418.707015
where:
bonds (distance) C4'-P energy: -110.232
bonds (distance) P-C4' energy: -122.203
flat angles C4'-P-C4' energy: -95.001
flat angles P-C4'-P energy: -47.670
tors. eta vs tors. theta energy: -43.601
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: 65
Temperature: 1.350000
Total energy: -728.015901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.015901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.015901 (E_RNA)
where:
Base-Base interactions energy: -336.773
where: short stacking energy: -226.286
Base-Backbone interact. energy: 4.023
local terms energy: -395.266378
where:
bonds (distance) C4'-P energy: -108.317
bonds (distance) P-C4' energy: -127.520
flat angles C4'-P-C4' energy: -88.979
flat angles P-C4'-P energy: -75.209
tors. eta vs tors. theta energy: 4.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2432.205716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.205716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.205716 (E_RNA)
where:
Base-Base interactions energy: -1681.831
where: short stacking energy: -783.377
Base-Backbone interact. energy: 0.821
local terms energy: -751.195136
where:
bonds (distance) C4'-P energy: -134.306
bonds (distance) P-C4' energy: -141.564
flat angles C4'-P-C4' energy: -155.897
flat angles P-C4'-P energy: -106.316
tors. eta vs tors. theta energy: -213.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2265.242521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.242521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.242521 (E_RNA)
where:
Base-Base interactions energy: -1539.862
where: short stacking energy: -675.960
Base-Backbone interact. energy: -3.459
local terms energy: -721.921144
where:
bonds (distance) C4'-P energy: -123.205
bonds (distance) P-C4' energy: -138.650
flat angles C4'-P-C4' energy: -161.829
flat angles P-C4'-P energy: -106.427
tors. eta vs tors. theta energy: -191.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2243.393328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.393328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.393328 (E_RNA)
where:
Base-Base interactions energy: -1571.654
where: short stacking energy: -667.658
Base-Backbone interact. energy: -2.581
local terms energy: -669.158239
where:
bonds (distance) C4'-P energy: -134.155
bonds (distance) P-C4' energy: -119.238
flat angles C4'-P-C4' energy: -154.902
flat angles P-C4'-P energy: -85.700
tors. eta vs tors. theta energy: -175.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2190.146635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.146635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.146635 (E_RNA)
where:
Base-Base interactions energy: -1508.908
where: short stacking energy: -663.507
Base-Backbone interact. energy: -1.550
local terms energy: -679.688982
where:
bonds (distance) C4'-P energy: -109.454
bonds (distance) P-C4' energy: -134.647
flat angles C4'-P-C4' energy: -152.294
flat angles P-C4'-P energy: -94.955
tors. eta vs tors. theta energy: -188.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1952.209601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.209601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.209601 (E_RNA)
where:
Base-Base interactions energy: -1330.200
where: short stacking energy: -565.547
Base-Backbone interact. energy: -2.842
local terms energy: -619.167007
where:
bonds (distance) C4'-P energy: -109.592
bonds (distance) P-C4' energy: -118.260
flat angles C4'-P-C4' energy: -137.191
flat angles P-C4'-P energy: -113.133
tors. eta vs tors. theta energy: -140.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1810.176885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.176885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.176885 (E_RNA)
where:
Base-Base interactions energy: -1215.680
where: short stacking energy: -569.687
Base-Backbone interact. energy: -2.167
local terms energy: -592.329695
where:
bonds (distance) C4'-P energy: -112.813
bonds (distance) P-C4' energy: -138.396
flat angles C4'-P-C4' energy: -120.337
flat angles P-C4'-P energy: -81.065
tors. eta vs tors. theta energy: -139.720
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: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1720.751832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.751832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.751832 (E_RNA)
where:
Base-Base interactions energy: -1161.416
where: short stacking energy: -525.395
Base-Backbone interact. energy: -2.607
local terms energy: -556.728625
where:
bonds (distance) C4'-P energy: -127.630
bonds (distance) P-C4' energy: -98.199
flat angles C4'-P-C4' energy: -119.448
flat angles P-C4'-P energy: -91.320
tors. eta vs tors. theta energy: -120.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1265.847215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.847215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.847215 (E_RNA)
where:
Base-Base interactions energy: -790.440
where: short stacking energy: -363.116
Base-Backbone interact. energy: 5.393
local terms energy: -480.800529
where:
bonds (distance) C4'-P energy: -99.338
bonds (distance) P-C4' energy: -123.206
flat angles C4'-P-C4' energy: -118.854
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -63.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1083.592909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.592909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.592909 (E_RNA)
where:
Base-Base interactions energy: -699.846
where: short stacking energy: -312.566
Base-Backbone interact. energy: -0.016
local terms energy: -383.731272
where:
bonds (distance) C4'-P energy: -119.421
bonds (distance) P-C4' energy: -79.037
flat angles C4'-P-C4' energy: -101.132
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: -32.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -717.337007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.337007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.337007 (E_RNA)
where:
Base-Base interactions energy: -345.855
where: short stacking energy: -224.523
Base-Backbone interact. energy: 6.648
local terms energy: -378.130029
where:
bonds (distance) C4'-P energy: -92.807
bonds (distance) P-C4' energy: -101.870
flat angles C4'-P-C4' energy: -107.059
flat angles P-C4'-P energy: -65.014
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2443.562794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.562794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.562794 (E_RNA)
where:
Base-Base interactions energy: -1706.799
where: short stacking energy: -756.521
Base-Backbone interact. energy: 0.558
local terms energy: -737.320976
where:
bonds (distance) C4'-P energy: -129.998
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -163.464
flat angles P-C4'-P energy: -104.100
tors. eta vs tors. theta energy: -212.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2255.512632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.512632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.512632 (E_RNA)
where:
Base-Base interactions energy: -1519.480
where: short stacking energy: -666.893
Base-Backbone interact. energy: -1.471
local terms energy: -734.561410
where:
bonds (distance) C4'-P energy: -154.715
bonds (distance) P-C4' energy: -129.201
flat angles C4'-P-C4' energy: -153.919
flat angles P-C4'-P energy: -114.601
tors. eta vs tors. theta energy: -182.124
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: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2200.441987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.441987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.441987 (E_RNA)
where:
Base-Base interactions energy: -1505.623
where: short stacking energy: -612.894
Base-Backbone interact. energy: -3.056
local terms energy: -691.763054
where:
bonds (distance) C4'-P energy: -125.626
bonds (distance) P-C4' energy: -142.718
flat angles C4'-P-C4' energy: -156.587
flat angles P-C4'-P energy: -95.086
tors. eta vs tors. theta energy: -171.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2180.255144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.255144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.255144 (E_RNA)
where:
Base-Base interactions energy: -1492.619
where: short stacking energy: -656.142
Base-Backbone interact. energy: 2.143
local terms energy: -689.778677
where:
bonds (distance) C4'-P energy: -119.200
bonds (distance) P-C4' energy: -134.232
flat angles C4'-P-C4' energy: -149.336
flat angles P-C4'-P energy: -100.069
tors. eta vs tors. theta energy: -186.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1950.020970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.020970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.020970 (E_RNA)
where:
Base-Base interactions energy: -1366.303
where: short stacking energy: -576.201
Base-Backbone interact. energy: -3.051
local terms energy: -580.666378
where:
bonds (distance) C4'-P energy: -112.234
bonds (distance) P-C4' energy: -117.927
flat angles C4'-P-C4' energy: -124.722
flat angles P-C4'-P energy: -84.261
tors. eta vs tors. theta energy: -141.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1828.628589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.628589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.628589 (E_RNA)
where:
Base-Base interactions energy: -1196.347
where: short stacking energy: -571.524
Base-Backbone interact. energy: 0.210
local terms energy: -632.491064
where:
bonds (distance) C4'-P energy: -115.332
bonds (distance) P-C4' energy: -127.160
flat angles C4'-P-C4' energy: -146.372
flat angles P-C4'-P energy: -83.596
tors. eta vs tors. theta energy: -160.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1778.378059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.378059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.378059 (E_RNA)
where:
Base-Base interactions energy: -1211.427
where: short stacking energy: -526.569
Base-Backbone interact. energy: -1.918
local terms energy: -565.033171
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -127.067
flat angles P-C4'-P energy: -89.272
tors. eta vs tors. theta energy: -126.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1268.973834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.973834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.973834 (E_RNA)
where:
Base-Base interactions energy: -782.977
where: short stacking energy: -362.861
Base-Backbone interact. energy: -0.358
local terms energy: -485.638812
where:
bonds (distance) C4'-P energy: -106.957
bonds (distance) P-C4' energy: -127.438
flat angles C4'-P-C4' energy: -112.603
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -68.456
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: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1070.930150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.930150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.930150 (E_RNA)
where:
Base-Base interactions energy: -659.401
where: short stacking energy: -293.944
Base-Backbone interact. energy: 0.348
local terms energy: -411.876898
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -122.603
flat angles C4'-P-C4' energy: -113.332
flat angles P-C4'-P energy: -55.249
tors. eta vs tors. theta energy: -29.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -698.518721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.518721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.518721 (E_RNA)
where:
Base-Base interactions energy: -346.417
where: short stacking energy: -222.797
Base-Backbone interact. energy: -2.647
local terms energy: -349.454196
where:
bonds (distance) C4'-P energy: -123.617
bonds (distance) P-C4' energy: -106.645
flat angles C4'-P-C4' energy: -88.691
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: 10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2452.804397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.804397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.804397 (E_RNA)
where:
Base-Base interactions energy: -1687.163
where: short stacking energy: -760.473
Base-Backbone interact. energy: -2.823
local terms energy: -762.819265
where:
bonds (distance) C4'-P energy: -134.370
bonds (distance) P-C4' energy: -146.655
flat angles C4'-P-C4' energy: -166.173
flat angles P-C4'-P energy: -107.532
tors. eta vs tors. theta energy: -208.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2274.261922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.261922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.261922 (E_RNA)
where:
Base-Base interactions energy: -1577.196
where: short stacking energy: -683.939
Base-Backbone interact. energy: -1.612
local terms energy: -695.454524
where:
bonds (distance) C4'-P energy: -126.072
bonds (distance) P-C4' energy: -140.828
flat angles C4'-P-C4' energy: -143.112
flat angles P-C4'-P energy: -95.775
tors. eta vs tors. theta energy: -189.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2238.635076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.635076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.635076 (E_RNA)
where:
Base-Base interactions energy: -1531.579
where: short stacking energy: -665.613
Base-Backbone interact. energy: 2.869
local terms energy: -709.924357
where:
bonds (distance) C4'-P energy: -131.137
bonds (distance) P-C4' energy: -122.536
flat angles C4'-P-C4' energy: -153.462
flat angles P-C4'-P energy: -112.018
tors. eta vs tors. theta energy: -190.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2161.588368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.588368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.588368 (E_RNA)
where:
Base-Base interactions energy: -1474.013
where: short stacking energy: -611.298
Base-Backbone interact. energy: -4.099
local terms energy: -683.476458
where:
bonds (distance) C4'-P energy: -131.310
bonds (distance) P-C4' energy: -143.137
flat angles C4'-P-C4' energy: -152.014
flat angles P-C4'-P energy: -96.523
tors. eta vs tors. theta energy: -160.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1931.780641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.780641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.780641 (E_RNA)
where:
Base-Base interactions energy: -1321.043
where: short stacking energy: -554.571
Base-Backbone interact. energy: -1.394
local terms energy: -609.343319
where:
bonds (distance) C4'-P energy: -112.498
bonds (distance) P-C4' energy: -133.413
flat angles C4'-P-C4' energy: -136.123
flat angles P-C4'-P energy: -97.650
tors. eta vs tors. theta energy: -129.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1717.261166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.261166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.261166 (E_RNA)
where:
Base-Base interactions energy: -1098.455
where: short stacking energy: -534.571
Base-Backbone interact. energy: 2.772
local terms energy: -621.578507
where:
bonds (distance) C4'-P energy: -120.917
bonds (distance) P-C4' energy: -137.829
flat angles C4'-P-C4' energy: -141.830
flat angles P-C4'-P energy: -85.374
tors. eta vs tors. theta energy: -135.627
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: 68
Temperature: 1.200000
Total energy: -1740.800224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.800224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.800224 (E_RNA)
where:
Base-Base interactions energy: -1167.111
where: short stacking energy: -529.525
Base-Backbone interact. energy: -1.644
local terms energy: -572.045827
where:
bonds (distance) C4'-P energy: -107.421
bonds (distance) P-C4' energy: -130.321
flat angles C4'-P-C4' energy: -132.433
flat angles P-C4'-P energy: -77.735
tors. eta vs tors. theta energy: -124.136
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: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -1244.960253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.960253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.960253 (E_RNA)
where:
Base-Base interactions energy: -777.206
where: short stacking energy: -362.342
Base-Backbone interact. energy: -2.767
local terms energy: -464.987388
where:
bonds (distance) C4'-P energy: -98.771
bonds (distance) P-C4' energy: -114.160
flat angles C4'-P-C4' energy: -117.115
flat angles P-C4'-P energy: -77.203
tors. eta vs tors. theta energy: -57.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1060.373775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.373775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.373775 (E_RNA)
where:
Base-Base interactions energy: -612.823
where: short stacking energy: -309.428
Base-Backbone interact. energy: -0.845
local terms energy: -446.706078
where:
bonds (distance) C4'-P energy: -121.283
bonds (distance) P-C4' energy: -120.917
flat angles C4'-P-C4' energy: -99.218
flat angles P-C4'-P energy: -62.110
tors. eta vs tors. theta energy: -43.177
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: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -669.600638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.600638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.600638 (E_RNA)
where:
Base-Base interactions energy: -301.163
where: short stacking energy: -194.091
Base-Backbone interact. energy: -0.226
local terms energy: -368.212053
where:
bonds (distance) C4'-P energy: -103.727
bonds (distance) P-C4' energy: -117.271
flat angles C4'-P-C4' energy: -93.001
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: 6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2451.193362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.193362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.193362 (E_RNA)
where:
Base-Base interactions energy: -1711.794
where: short stacking energy: -745.247
Base-Backbone interact. energy: -0.991
local terms energy: -738.408135
where:
bonds (distance) C4'-P energy: -124.997
bonds (distance) P-C4' energy: -137.049
flat angles C4'-P-C4' energy: -163.342
flat angles P-C4'-P energy: -107.558
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: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2287.780985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.780985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.780985 (E_RNA)
where:
Base-Base interactions energy: -1570.902
where: short stacking energy: -685.391
Base-Backbone interact. energy: -2.818
local terms energy: -714.060335
where:
bonds (distance) C4'-P energy: -131.677
bonds (distance) P-C4' energy: -139.729
flat angles C4'-P-C4' energy: -145.711
flat angles P-C4'-P energy: -103.709
tors. eta vs tors. theta energy: -193.234
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: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2230.529554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.529554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.529554 (E_RNA)
where:
Base-Base interactions energy: -1523.647
where: short stacking energy: -661.684
Base-Backbone interact. energy: -2.460
local terms energy: -704.422041
where:
bonds (distance) C4'-P energy: -129.784
bonds (distance) P-C4' energy: -137.407
flat angles C4'-P-C4' energy: -155.278
flat angles P-C4'-P energy: -92.868
tors. eta vs tors. theta energy: -189.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2139.748553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.748553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.748553 (E_RNA)
where:
Base-Base interactions energy: -1512.579
where: short stacking energy: -615.718
Base-Backbone interact. energy: -3.161
local terms energy: -624.008661
where:
bonds (distance) C4'-P energy: -113.694
bonds (distance) P-C4' energy: -125.382
flat angles C4'-P-C4' energy: -135.827
flat angles P-C4'-P energy: -88.473
tors. eta vs tors. theta energy: -160.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1886.852269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.852269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.852269 (E_RNA)
where:
Base-Base interactions energy: -1267.765
where: short stacking energy: -552.516
Base-Backbone interact. energy: -2.378
local terms energy: -616.709119
where:
bonds (distance) C4'-P energy: -124.050
bonds (distance) P-C4' energy: -134.058
flat angles C4'-P-C4' energy: -140.052
flat angles P-C4'-P energy: -89.599
tors. eta vs tors. theta energy: -128.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1860.642619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.642619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.642619 (E_RNA)
where:
Base-Base interactions energy: -1251.172
where: short stacking energy: -574.103
Base-Backbone interact. energy: -2.815
local terms energy: -606.656025
where:
bonds (distance) C4'-P energy: -125.970
bonds (distance) P-C4' energy: -124.803
flat angles C4'-P-C4' energy: -134.433
flat angles P-C4'-P energy: -88.607
tors. eta vs tors. theta energy: -132.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1612.421071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.421071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.421071 (E_RNA)
where:
Base-Base interactions energy: -1063.270
where: short stacking energy: -476.143
Base-Backbone interact. energy: 2.133
local terms energy: -551.284183
where:
bonds (distance) C4'-P energy: -101.590
bonds (distance) P-C4' energy: -118.023
flat angles C4'-P-C4' energy: -138.971
flat angles P-C4'-P energy: -80.559
tors. eta vs tors. theta energy: -112.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1232.630252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.630252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.630252 (E_RNA)
where:
Base-Base interactions energy: -789.132
where: short stacking energy: -363.952
Base-Backbone interact. energy: -2.886
local terms energy: -440.612074
where:
bonds (distance) C4'-P energy: -107.422
bonds (distance) P-C4' energy: -112.574
flat angles C4'-P-C4' energy: -118.383
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: -60.491
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: 69
Temperature: 1.300000
Total energy: -1009.401559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.401559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.401559 (E_RNA)
where:
Base-Base interactions energy: -594.824
where: short stacking energy: -308.781
Base-Backbone interact. energy: 4.464
local terms energy: -419.041829
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -104.389
flat angles P-C4'-P energy: -60.680
tors. eta vs tors. theta energy: -29.915
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: 69
Temperature: 1.350000
Total energy: -761.137145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.137145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.137145 (E_RNA)
where:
Base-Base interactions energy: -395.213
where: short stacking energy: -243.617
Base-Backbone interact. energy: 0.347
local terms energy: -366.272014
where:
bonds (distance) C4'-P energy: -96.065
bonds (distance) P-C4' energy: -99.223
flat angles C4'-P-C4' energy: -104.796
flat angles P-C4'-P energy: -69.023
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: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2461.714197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.714197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.714197 (E_RNA)
where:
Base-Base interactions energy: -1698.823
where: short stacking energy: -755.263
Base-Backbone interact. energy: 0.777
local terms energy: -763.668115
where:
bonds (distance) C4'-P energy: -137.926
bonds (distance) P-C4' energy: -134.836
flat angles C4'-P-C4' energy: -177.293
flat angles P-C4'-P energy: -109.066
tors. eta vs tors. theta energy: -204.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -2295.030918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.030918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.030918 (E_RNA)
where:
Base-Base interactions energy: -1572.890
where: short stacking energy: -667.373
Base-Backbone interact. energy: -1.777
local terms energy: -720.363455
where:
bonds (distance) C4'-P energy: -122.494
bonds (distance) P-C4' energy: -144.171
flat angles C4'-P-C4' energy: -155.671
flat angles P-C4'-P energy: -108.332
tors. eta vs tors. theta energy: -189.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2238.123953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.123953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.123953 (E_RNA)
where:
Base-Base interactions energy: -1530.228
where: short stacking energy: -674.594
Base-Backbone interact. energy: 3.700
local terms energy: -711.595717
where:
bonds (distance) C4'-P energy: -126.027
bonds (distance) P-C4' energy: -148.030
flat angles C4'-P-C4' energy: -153.021
flat angles P-C4'-P energy: -99.418
tors. eta vs tors. theta energy: -185.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2142.083326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.083326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.083326 (E_RNA)
where:
Base-Base interactions energy: -1500.766
where: short stacking energy: -630.103
Base-Backbone interact. energy: -3.303
local terms energy: -638.014410
where:
bonds (distance) C4'-P energy: -115.208
bonds (distance) P-C4' energy: -117.197
flat angles C4'-P-C4' energy: -144.807
flat angles P-C4'-P energy: -94.288
tors. eta vs tors. theta energy: -166.515
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: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1918.371876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.371876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.371876 (E_RNA)
where:
Base-Base interactions energy: -1304.925
where: short stacking energy: -551.544
Base-Backbone interact. energy: 2.927
local terms energy: -616.374152
where:
bonds (distance) C4'-P energy: -125.240
bonds (distance) P-C4' energy: -119.496
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -103.518
tors. eta vs tors. theta energy: -133.452
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: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1848.131340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.131340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.131340 (E_RNA)
where:
Base-Base interactions energy: -1226.103
where: short stacking energy: -564.489
Base-Backbone interact. energy: -2.090
local terms energy: -619.938119
where:
bonds (distance) C4'-P energy: -112.245
bonds (distance) P-C4' energy: -134.428
flat angles C4'-P-C4' energy: -146.009
flat angles P-C4'-P energy: -83.018
tors. eta vs tors. theta energy: -144.238
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: 2
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1694.338480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.338480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.338480 (E_RNA)
where:
Base-Base interactions energy: -1125.051
where: short stacking energy: -529.266
Base-Backbone interact. energy: 0.299
local terms energy: -569.585762
where:
bonds (distance) C4'-P energy: -109.607
bonds (distance) P-C4' energy: -117.049
flat angles C4'-P-C4' energy: -119.743
flat angles P-C4'-P energy: -89.206
tors. eta vs tors. theta energy: -133.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1294.149999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.149999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.149999 (E_RNA)
where:
Base-Base interactions energy: -792.890
where: short stacking energy: -379.841
Base-Backbone interact. energy: -0.116
local terms energy: -501.143189
where:
bonds (distance) C4'-P energy: -106.993
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -125.522
flat angles P-C4'-P energy: -75.789
tors. eta vs tors. theta energy: -79.158
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: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1077.489514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.489514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.489514 (E_RNA)
where:
Base-Base interactions energy: -626.502
where: short stacking energy: -348.309
Base-Backbone interact. energy: 3.228
local terms energy: -454.215867
where:
bonds (distance) C4'-P energy: -96.036
bonds (distance) P-C4' energy: -125.426
flat angles C4'-P-C4' energy: -107.657
flat angles P-C4'-P energy: -64.981
tors. eta vs tors. theta energy: -60.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -809.285256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.285256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.285256 (E_RNA)
where:
Base-Base interactions energy: -452.399
where: short stacking energy: -231.086
Base-Backbone interact. energy: -3.684
local terms energy: -353.201967
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -128.574
flat angles C4'-P-C4' energy: -78.232
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: 2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2476.453302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.453302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.453302 (E_RNA)
where:
Base-Base interactions energy: -1713.124
where: short stacking energy: -764.430
Base-Backbone interact. energy: -1.731
local terms energy: -761.597859
where:
bonds (distance) C4'-P energy: -144.584
bonds (distance) P-C4' energy: -140.265
flat angles C4'-P-C4' energy: -162.938
flat angles P-C4'-P energy: -103.113
tors. eta vs tors. theta energy: -210.697
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: 4
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2301.572101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.572101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.572101 (E_RNA)
where:
Base-Base interactions energy: -1586.909
where: short stacking energy: -695.626
Base-Backbone interact. energy: -4.094
local terms energy: -710.568938
where:
bonds (distance) C4'-P energy: -138.204
bonds (distance) P-C4' energy: -130.491
flat angles C4'-P-C4' energy: -142.089
flat angles P-C4'-P energy: -108.481
tors. eta vs tors. theta energy: -191.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2209.072939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.072939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.072939 (E_RNA)
where:
Base-Base interactions energy: -1532.966
where: short stacking energy: -681.537
Base-Backbone interact. energy: -2.117
local terms energy: -673.989853
where:
bonds (distance) C4'-P energy: -135.430
bonds (distance) P-C4' energy: -115.069
flat angles C4'-P-C4' energy: -137.476
flat angles P-C4'-P energy: -94.048
tors. eta vs tors. theta energy: -191.966
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: 71
Temperature: 1.050000
Total energy: -2115.037545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.037545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.037545 (E_RNA)
where:
Base-Base interactions energy: -1480.203
where: short stacking energy: -605.985
Base-Backbone interact. energy: -1.354
local terms energy: -633.480400
where:
bonds (distance) C4'-P energy: -120.578
bonds (distance) P-C4' energy: -116.678
flat angles C4'-P-C4' energy: -140.416
flat angles P-C4'-P energy: -101.827
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: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1899.879564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.879564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.879564 (E_RNA)
where:
Base-Base interactions energy: -1291.703
where: short stacking energy: -557.921
Base-Backbone interact. energy: -5.766
local terms energy: -602.410259
where:
bonds (distance) C4'-P energy: -109.259
bonds (distance) P-C4' energy: -120.754
flat angles C4'-P-C4' energy: -149.052
flat angles P-C4'-P energy: -76.581
tors. eta vs tors. theta energy: -146.765
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: 71
Temperature: 1.150000
Total energy: -1825.055379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.055379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.055379 (E_RNA)
where:
Base-Base interactions energy: -1235.637
where: short stacking energy: -573.056
Base-Backbone interact. energy: -2.318
local terms energy: -587.100657
where:
bonds (distance) C4'-P energy: -106.360
bonds (distance) P-C4' energy: -115.070
flat angles C4'-P-C4' energy: -133.112
flat angles P-C4'-P energy: -88.180
tors. eta vs tors. theta energy: -144.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1697.405989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.405989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.405989 (E_RNA)
where:
Base-Base interactions energy: -1111.813
where: short stacking energy: -520.160
Base-Backbone interact. energy: -0.481
local terms energy: -585.111576
where:
bonds (distance) C4'-P energy: -110.014
bonds (distance) P-C4' energy: -125.764
flat angles C4'-P-C4' energy: -120.604
flat angles P-C4'-P energy: -100.946
tors. eta vs tors. theta energy: -127.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1251.759066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.759066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.759066 (E_RNA)
where:
Base-Base interactions energy: -804.266
where: short stacking energy: -354.559
Base-Backbone interact. energy: 1.271
local terms energy: -448.763993
where:
bonds (distance) C4'-P energy: -105.182
bonds (distance) P-C4' energy: -113.409
flat angles C4'-P-C4' energy: -104.726
flat angles P-C4'-P energy: -68.037
tors. eta vs tors. theta energy: -57.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -998.028531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.028531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.028531 (E_RNA)
where:
Base-Base interactions energy: -576.910
where: short stacking energy: -306.439
Base-Backbone interact. energy: 0.227
local terms energy: -421.346074
where:
bonds (distance) C4'-P energy: -102.345
bonds (distance) P-C4' energy: -109.232
flat angles C4'-P-C4' energy: -111.312
flat angles P-C4'-P energy: -73.681
tors. eta vs tors. theta energy: -24.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -955.215931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.215931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.215931 (E_RNA)
where:
Base-Base interactions energy: -539.085
where: short stacking energy: -294.263
Base-Backbone interact. energy: 1.903
local terms energy: -418.033270
where:
bonds (distance) C4'-P energy: -97.739
bonds (distance) P-C4' energy: -110.137
flat angles C4'-P-C4' energy: -108.877
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -31.639
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: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2428.798421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.798421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.798421 (E_RNA)
where:
Base-Base interactions energy: -1691.681
where: short stacking energy: -743.733
Base-Backbone interact. energy: 2.619
local terms energy: -739.735708
where:
bonds (distance) C4'-P energy: -144.567
bonds (distance) P-C4' energy: -140.440
flat angles C4'-P-C4' energy: -168.434
flat angles P-C4'-P energy: -90.753
tors. eta vs tors. theta energy: -195.542
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: 72
Temperature: 0.950000
Total energy: -2308.492639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.492639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.492639 (E_RNA)
where:
Base-Base interactions energy: -1577.850
where: short stacking energy: -676.329
Base-Backbone interact. energy: -0.266
local terms energy: -730.376155
where:
bonds (distance) C4'-P energy: -134.026
bonds (distance) P-C4' energy: -141.200
flat angles C4'-P-C4' energy: -148.449
flat angles P-C4'-P energy: -115.853
tors. eta vs tors. theta energy: -190.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2228.596187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.596187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.596187 (E_RNA)
where:
Base-Base interactions energy: -1548.178
where: short stacking energy: -665.184
Base-Backbone interact. energy: -1.523
local terms energy: -678.894739
where:
bonds (distance) C4'-P energy: -129.959
bonds (distance) P-C4' energy: -121.656
flat angles C4'-P-C4' energy: -141.802
flat angles P-C4'-P energy: -104.462
tors. eta vs tors. theta energy: -181.016
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: 72
Temperature: 1.050000
Total energy: -2078.715210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.715210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.715210 (E_RNA)
where:
Base-Base interactions energy: -1458.214
where: short stacking energy: -589.202
Base-Backbone interact. energy: -4.350
local terms energy: -616.151416
where:
bonds (distance) C4'-P energy: -126.538
bonds (distance) P-C4' energy: -134.814
flat angles C4'-P-C4' energy: -122.375
flat angles P-C4'-P energy: -85.627
tors. eta vs tors. theta energy: -146.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1917.716938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.716938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.716938 (E_RNA)
where:
Base-Base interactions energy: -1301.715
where: short stacking energy: -595.715
Base-Backbone interact. energy: -5.161
local terms energy: -610.841048
where:
bonds (distance) C4'-P energy: -114.953
bonds (distance) P-C4' energy: -112.755
flat angles C4'-P-C4' energy: -148.030
flat angles P-C4'-P energy: -97.245
tors. eta vs tors. theta energy: -137.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1899.000492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.000492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.000492 (E_RNA)
where:
Base-Base interactions energy: -1306.144
where: short stacking energy: -601.125
Base-Backbone interact. energy: -1.190
local terms energy: -591.665893
where:
bonds (distance) C4'-P energy: -116.178
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -128.317
flat angles P-C4'-P energy: -83.934
tors. eta vs tors. theta energy: -157.694
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: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1706.847037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.847037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.847037 (E_RNA)
where:
Base-Base interactions energy: -1133.067
where: short stacking energy: -527.061
Base-Backbone interact. energy: 3.384
local terms energy: -577.163751
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -114.563
flat angles C4'-P-C4' energy: -138.373
flat angles P-C4'-P energy: -81.327
tors. eta vs tors. theta energy: -124.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1302.954084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.954084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.954084 (E_RNA)
where:
Base-Base interactions energy: -815.020
where: short stacking energy: -392.540
Base-Backbone interact. energy: 0.636
local terms energy: -488.570358
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -91.201
flat angles C4'-P-C4' energy: -124.025
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -83.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -975.698706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.698706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.698706 (E_RNA)
where:
Base-Base interactions energy: -557.512
where: short stacking energy: -275.014
Base-Backbone interact. energy: 0.519
local terms energy: -418.705958
where:
bonds (distance) C4'-P energy: -115.781
bonds (distance) P-C4' energy: -114.022
flat angles C4'-P-C4' energy: -98.699
flat angles P-C4'-P energy: -55.105
tors. eta vs tors. theta energy: -35.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -961.755808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.755808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.755808 (E_RNA)
where:
Base-Base interactions energy: -558.647
where: short stacking energy: -291.100
Base-Backbone interact. energy: 6.166
local terms energy: -409.274698
where:
bonds (distance) C4'-P energy: -121.095
bonds (distance) P-C4' energy: -99.372
flat angles C4'-P-C4' energy: -91.688
flat angles P-C4'-P energy: -59.543
tors. eta vs tors. theta energy: -37.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2450.536107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.536107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.536107 (E_RNA)
where:
Base-Base interactions energy: -1705.456
where: short stacking energy: -760.245
Base-Backbone interact. energy: 0.214
local terms energy: -745.293347
where:
bonds (distance) C4'-P energy: -133.697
bonds (distance) P-C4' energy: -150.772
flat angles C4'-P-C4' energy: -159.002
flat angles P-C4'-P energy: -96.836
tors. eta vs tors. theta energy: -204.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2312.706118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.706118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.706118 (E_RNA)
where:
Base-Base interactions energy: -1594.272
where: short stacking energy: -686.355
Base-Backbone interact. energy: -1.133
local terms energy: -717.301161
where:
bonds (distance) C4'-P energy: -129.110
bonds (distance) P-C4' energy: -154.491
flat angles C4'-P-C4' energy: -159.702
flat angles P-C4'-P energy: -105.579
tors. eta vs tors. theta energy: -168.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -2213.860538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.860538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.860538 (E_RNA)
where:
Base-Base interactions energy: -1531.987
where: short stacking energy: -661.925
Base-Backbone interact. energy: 0.856
local terms energy: -682.729800
where:
bonds (distance) C4'-P energy: -129.491
bonds (distance) P-C4' energy: -127.073
flat angles C4'-P-C4' energy: -156.839
flat angles P-C4'-P energy: -83.033
tors. eta vs tors. theta energy: -186.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2155.885037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.885037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.885037 (E_RNA)
where:
Base-Base interactions energy: -1518.652
where: short stacking energy: -633.385
Base-Backbone interact. energy: -1.367
local terms energy: -635.866239
where:
bonds (distance) C4'-P energy: -128.399
bonds (distance) P-C4' energy: -116.720
flat angles C4'-P-C4' energy: -140.891
flat angles P-C4'-P energy: -90.678
tors. eta vs tors. theta energy: -159.178
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: 9
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1911.371150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.371150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.371150 (E_RNA)
where:
Base-Base interactions energy: -1275.473
where: short stacking energy: -585.355
Base-Backbone interact. energy: -4.350
local terms energy: -631.548026
where:
bonds (distance) C4'-P energy: -137.362
bonds (distance) P-C4' energy: -129.643
flat angles C4'-P-C4' energy: -141.137
flat angles P-C4'-P energy: -89.317
tors. eta vs tors. theta energy: -134.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1983.257892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.257892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.257892 (E_RNA)
where:
Base-Base interactions energy: -1376.455
where: short stacking energy: -603.095
Base-Backbone interact. energy: 6.933
local terms energy: -613.735320
where:
bonds (distance) C4'-P energy: -123.314
bonds (distance) P-C4' energy: -102.957
flat angles C4'-P-C4' energy: -143.136
flat angles P-C4'-P energy: -78.054
tors. eta vs tors. theta energy: -166.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1704.060231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.060231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.060231 (E_RNA)
where:
Base-Base interactions energy: -1123.344
where: short stacking energy: -535.711
Base-Backbone interact. energy: -3.929
local terms energy: -576.787732
where:
bonds (distance) C4'-P energy: -123.528
bonds (distance) P-C4' energy: -130.645
flat angles C4'-P-C4' energy: -134.536
flat angles P-C4'-P energy: -71.624
tors. eta vs tors. theta energy: -116.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1269.176173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.176173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.176173 (E_RNA)
where:
Base-Base interactions energy: -799.577
where: short stacking energy: -357.002
Base-Backbone interact. energy: -0.843
local terms energy: -468.755475
where:
bonds (distance) C4'-P energy: -98.504
bonds (distance) P-C4' energy: -123.578
flat angles C4'-P-C4' energy: -101.433
flat angles P-C4'-P energy: -68.284
tors. eta vs tors. theta energy: -76.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1025.845804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.845804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.845804 (E_RNA)
where:
Base-Base interactions energy: -605.965
where: short stacking energy: -309.228
Base-Backbone interact. energy: 6.088
local terms energy: -425.968970
where:
bonds (distance) C4'-P energy: -105.043
bonds (distance) P-C4' energy: -110.008
flat angles C4'-P-C4' energy: -115.518
flat angles P-C4'-P energy: -57.581
tors. eta vs tors. theta energy: -37.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -889.108854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.108854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.108854 (E_RNA)
where:
Base-Base interactions energy: -533.404
where: short stacking energy: -249.918
Base-Backbone interact. energy: 2.581
local terms energy: -358.286122
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -107.011
flat angles C4'-P-C4' energy: -77.323
flat angles P-C4'-P energy: -53.862
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2466.262574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.262574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.262574 (E_RNA)
where:
Base-Base interactions energy: -1699.771
where: short stacking energy: -758.037
Base-Backbone interact. energy: -1.243
local terms energy: -765.248563
where:
bonds (distance) C4'-P energy: -146.985
bonds (distance) P-C4' energy: -136.696
flat angles C4'-P-C4' energy: -157.560
flat angles P-C4'-P energy: -108.790
tors. eta vs tors. theta energy: -215.218
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: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2265.839178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.839178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.839178 (E_RNA)
where:
Base-Base interactions energy: -1568.136
where: short stacking energy: -676.039
Base-Backbone interact. energy: -2.751
local terms energy: -694.951894
where:
bonds (distance) C4'-P energy: -137.781
bonds (distance) P-C4' energy: -131.487
flat angles C4'-P-C4' energy: -153.556
flat angles P-C4'-P energy: -100.499
tors. eta vs tors. theta energy: -171.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2237.537916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.537916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.537916 (E_RNA)
where:
Base-Base interactions energy: -1517.797
where: short stacking energy: -650.190
Base-Backbone interact. energy: -0.039
local terms energy: -719.701478
where:
bonds (distance) C4'-P energy: -134.616
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -149.465
flat angles P-C4'-P energy: -99.798
tors. eta vs tors. theta energy: -188.619
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: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2142.318800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.318800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.318800 (E_RNA)
where:
Base-Base interactions energy: -1512.196
where: short stacking energy: -631.968
Base-Backbone interact. energy: -1.502
local terms energy: -628.620778
where:
bonds (distance) C4'-P energy: -130.276
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -143.174
flat angles P-C4'-P energy: -83.213
tors. eta vs tors. theta energy: -153.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1910.192450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.192450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.192450 (E_RNA)
where:
Base-Base interactions energy: -1320.960
where: short stacking energy: -579.859
Base-Backbone interact. energy: 0.730
local terms energy: -589.962761
where:
bonds (distance) C4'-P energy: -118.325
bonds (distance) P-C4' energy: -113.721
flat angles C4'-P-C4' energy: -133.758
flat angles P-C4'-P energy: -82.671
tors. eta vs tors. theta energy: -141.488
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1927.142935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.142935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.142935 (E_RNA)
where:
Base-Base interactions energy: -1317.624
where: short stacking energy: -608.200
Base-Backbone interact. energy: -3.417
local terms energy: -606.101613
where:
bonds (distance) C4'-P energy: -115.391
bonds (distance) P-C4' energy: -121.442
flat angles C4'-P-C4' energy: -136.734
flat angles P-C4'-P energy: -79.905
tors. eta vs tors. theta energy: -152.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1625.675524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.675524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.675524 (E_RNA)
where:
Base-Base interactions energy: -1090.306
where: short stacking energy: -523.966
Base-Backbone interact. energy: -3.434
local terms energy: -531.935902
where:
bonds (distance) C4'-P energy: -105.024
bonds (distance) P-C4' energy: -126.863
flat angles C4'-P-C4' energy: -121.559
flat angles P-C4'-P energy: -67.890
tors. eta vs tors. theta energy: -110.599
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: 8
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1264.475092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.475092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.475092 (E_RNA)
where:
Base-Base interactions energy: -756.815
where: short stacking energy: -353.385
Base-Backbone interact. energy: 0.179
local terms energy: -507.839353
where:
bonds (distance) C4'-P energy: -132.644
bonds (distance) P-C4' energy: -129.867
flat angles C4'-P-C4' energy: -103.723
flat angles P-C4'-P energy: -72.558
tors. eta vs tors. theta energy: -69.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1055.941592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.941592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.941592 (E_RNA)
where:
Base-Base interactions energy: -632.347
where: short stacking energy: -314.097
Base-Backbone interact. energy: 3.754
local terms energy: -427.349033
where:
bonds (distance) C4'-P energy: -100.988
bonds (distance) P-C4' energy: -116.542
flat angles C4'-P-C4' energy: -105.972
flat angles P-C4'-P energy: -61.613
tors. eta vs tors. theta energy: -42.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -879.572060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.572060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.572060 (E_RNA)
where:
Base-Base interactions energy: -486.146
where: short stacking energy: -249.650
Base-Backbone interact. energy: 0.448
local terms energy: -393.873978
where:
bonds (distance) C4'-P energy: -113.262
bonds (distance) P-C4' energy: -119.932
flat angles C4'-P-C4' energy: -87.601
flat angles P-C4'-P energy: -61.033
tors. eta vs tors. theta energy: -12.046
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: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2444.618215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.618215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.618215 (E_RNA)
where:
Base-Base interactions energy: -1698.639
where: short stacking energy: -751.193
Base-Backbone interact. energy: -1.481
local terms energy: -744.498670
where:
bonds (distance) C4'-P energy: -148.624
bonds (distance) P-C4' energy: -121.572
flat angles C4'-P-C4' energy: -161.169
flat angles P-C4'-P energy: -103.712
tors. eta vs tors. theta energy: -209.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2293.501600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.501600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.501600 (E_RNA)
where:
Base-Base interactions energy: -1582.258
where: short stacking energy: -693.298
Base-Backbone interact. energy: -2.970
local terms energy: -708.273169
where:
bonds (distance) C4'-P energy: -112.481
bonds (distance) P-C4' energy: -143.450
flat angles C4'-P-C4' energy: -149.498
flat angles P-C4'-P energy: -115.907
tors. eta vs tors. theta energy: -186.938
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: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2227.358140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.358140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.358140 (E_RNA)
where:
Base-Base interactions energy: -1537.439
where: short stacking energy: -683.227
Base-Backbone interact. energy: -1.339
local terms energy: -688.580812
where:
bonds (distance) C4'-P energy: -134.180
bonds (distance) P-C4' energy: -127.134
flat angles C4'-P-C4' energy: -147.195
flat angles P-C4'-P energy: -88.919
tors. eta vs tors. theta energy: -191.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2132.238624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.238624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.238624 (E_RNA)
where:
Base-Base interactions energy: -1501.282
where: short stacking energy: -627.536
Base-Backbone interact. energy: 0.666
local terms energy: -631.622100
where:
bonds (distance) C4'-P energy: -100.325
bonds (distance) P-C4' energy: -132.722
flat angles C4'-P-C4' energy: -145.555
flat angles P-C4'-P energy: -82.479
tors. eta vs tors. theta energy: -170.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1905.033967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.033967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.033967 (E_RNA)
where:
Base-Base interactions energy: -1315.864
where: short stacking energy: -577.075
Base-Backbone interact. energy: -3.022
local terms energy: -586.148150
where:
bonds (distance) C4'-P energy: -113.814
bonds (distance) P-C4' energy: -118.752
flat angles C4'-P-C4' energy: -139.441
flat angles P-C4'-P energy: -75.211
tors. eta vs tors. theta energy: -138.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1915.392178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.392178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.392178 (E_RNA)
where:
Base-Base interactions energy: -1307.848
where: short stacking energy: -596.842
Base-Backbone interact. energy: -0.980
local terms energy: -606.563845
where:
bonds (distance) C4'-P energy: -104.516
bonds (distance) P-C4' energy: -118.729
flat angles C4'-P-C4' energy: -135.673
flat angles P-C4'-P energy: -80.817
tors. eta vs tors. theta energy: -166.829
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: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1655.788278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.788278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.788278 (E_RNA)
where:
Base-Base interactions energy: -1112.524
where: short stacking energy: -509.000
Base-Backbone interact. energy: -3.559
local terms energy: -539.705134
where:
bonds (distance) C4'-P energy: -114.515
bonds (distance) P-C4' energy: -111.071
flat angles C4'-P-C4' energy: -140.156
flat angles P-C4'-P energy: -65.139
tors. eta vs tors. theta energy: -108.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1170.744947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.744947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.744947 (E_RNA)
where:
Base-Base interactions energy: -729.595
where: short stacking energy: -349.765
Base-Backbone interact. energy: 2.912
local terms energy: -444.062249
where:
bonds (distance) C4'-P energy: -98.085
bonds (distance) P-C4' energy: -126.422
flat angles C4'-P-C4' energy: -99.945
flat angles P-C4'-P energy: -70.067
tors. eta vs tors. theta energy: -49.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1078.670443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.670443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.670443 (E_RNA)
where:
Base-Base interactions energy: -634.082
where: short stacking energy: -319.107
Base-Backbone interact. energy: -5.041
local terms energy: -439.548182
where:
bonds (distance) C4'-P energy: -94.661
bonds (distance) P-C4' energy: -114.774
flat angles C4'-P-C4' energy: -118.235
flat angles P-C4'-P energy: -67.329
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: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -876.464487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.464487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.464487 (E_RNA)
where:
Base-Base interactions energy: -483.367
where: short stacking energy: -264.310
Base-Backbone interact. energy: 2.775
local terms energy: -395.873043
where:
bonds (distance) C4'-P energy: -99.641
bonds (distance) P-C4' energy: -119.027
flat angles C4'-P-C4' energy: -82.638
flat angles P-C4'-P energy: -84.852
tors. eta vs tors. theta energy: -9.716
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: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2450.435025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.435025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.435025 (E_RNA)
where:
Base-Base interactions energy: -1693.940
where: short stacking energy: -730.116
Base-Backbone interact. energy: -4.841
local terms energy: -751.654107
where:
bonds (distance) C4'-P energy: -143.448
bonds (distance) P-C4' energy: -130.202
flat angles C4'-P-C4' energy: -158.734
flat angles P-C4'-P energy: -107.594
tors. eta vs tors. theta energy: -211.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2275.010970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.010970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.010970 (E_RNA)
where:
Base-Base interactions energy: -1568.667
where: short stacking energy: -658.483
Base-Backbone interact. energy: -4.516
local terms energy: -701.827707
where:
bonds (distance) C4'-P energy: -143.173
bonds (distance) P-C4' energy: -132.583
flat angles C4'-P-C4' energy: -151.380
flat angles P-C4'-P energy: -89.966
tors. eta vs tors. theta energy: -184.726
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: 76
Temperature: 1.000000
Total energy: -2223.711609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.711609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.711609 (E_RNA)
where:
Base-Base interactions energy: -1532.382
where: short stacking energy: -669.142
Base-Backbone interact. energy: 1.983
local terms energy: -693.312645
where:
bonds (distance) C4'-P energy: -128.803
bonds (distance) P-C4' energy: -126.293
flat angles C4'-P-C4' energy: -151.478
flat angles P-C4'-P energy: -101.211
tors. eta vs tors. theta energy: -185.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2154.642893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.642893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.642893 (E_RNA)
where:
Base-Base interactions energy: -1507.754
where: short stacking energy: -642.937
Base-Backbone interact. energy: -2.488
local terms energy: -644.400411
where:
bonds (distance) C4'-P energy: -118.905
bonds (distance) P-C4' energy: -135.960
flat angles C4'-P-C4' energy: -140.102
flat angles P-C4'-P energy: -86.347
tors. eta vs tors. theta energy: -163.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -2027.987326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.987326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.987326 (E_RNA)
where:
Base-Base interactions energy: -1376.864
where: short stacking energy: -580.126
Base-Backbone interact. energy: -0.374
local terms energy: -650.749956
where:
bonds (distance) C4'-P energy: -129.944
bonds (distance) P-C4' energy: -134.499
flat angles C4'-P-C4' energy: -140.177
flat angles P-C4'-P energy: -94.940
tors. eta vs tors. theta energy: -151.190
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: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1821.104366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.104366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.104366 (E_RNA)
where:
Base-Base interactions energy: -1262.321
where: short stacking energy: -541.811
Base-Backbone interact. energy: -4.127
local terms energy: -554.656223
where:
bonds (distance) C4'-P energy: -99.242
bonds (distance) P-C4' energy: -110.799
flat angles C4'-P-C4' energy: -134.520
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -131.665
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: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1626.508775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.508775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.508775 (E_RNA)
where:
Base-Base interactions energy: -1060.851
where: short stacking energy: -492.196
Base-Backbone interact. energy: 11.755
local terms energy: -577.413004
where:
bonds (distance) C4'-P energy: -131.822
bonds (distance) P-C4' energy: -121.478
flat angles C4'-P-C4' energy: -120.276
flat angles P-C4'-P energy: -76.579
tors. eta vs tors. theta energy: -127.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1169.667335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.667335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.667335 (E_RNA)
where:
Base-Base interactions energy: -724.882
where: short stacking energy: -369.701
Base-Backbone interact. energy: 1.976
local terms energy: -446.761542
where:
bonds (distance) C4'-P energy: -109.781
bonds (distance) P-C4' energy: -93.125
flat angles C4'-P-C4' energy: -113.733
flat angles P-C4'-P energy: -82.290
tors. eta vs tors. theta energy: -47.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1131.838822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.838822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.838822 (E_RNA)
where:
Base-Base interactions energy: -670.341
where: short stacking energy: -341.838
Base-Backbone interact. energy: 0.117
local terms energy: -461.615645
where:
bonds (distance) C4'-P energy: -101.180
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -63.125
tors. eta vs tors. theta energy: -52.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -885.752932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.752932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.752932 (E_RNA)
where:
Base-Base interactions energy: -496.076
where: short stacking energy: -234.342
Base-Backbone interact. energy: 4.817
local terms energy: -394.494064
where:
bonds (distance) C4'-P energy: -111.619
bonds (distance) P-C4' energy: -138.665
flat angles C4'-P-C4' energy: -85.193
flat angles P-C4'-P energy: -55.174
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2472.798124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.798124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.798124 (E_RNA)
where:
Base-Base interactions energy: -1716.397
where: short stacking energy: -751.427
Base-Backbone interact. energy: -2.192
local terms energy: -754.209213
where:
bonds (distance) C4'-P energy: -138.016
bonds (distance) P-C4' energy: -142.487
flat angles C4'-P-C4' energy: -161.545
flat angles P-C4'-P energy: -95.659
tors. eta vs tors. theta energy: -216.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2293.453804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.453804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.453804 (E_RNA)
where:
Base-Base interactions energy: -1577.581
where: short stacking energy: -691.152
Base-Backbone interact. energy: -3.161
local terms energy: -712.711730
where:
bonds (distance) C4'-P energy: -135.129
bonds (distance) P-C4' energy: -138.298
flat angles C4'-P-C4' energy: -148.227
flat angles P-C4'-P energy: -107.855
tors. eta vs tors. theta energy: -183.203
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: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2188.292347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.292347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.292347 (E_RNA)
where:
Base-Base interactions energy: -1503.498
where: short stacking energy: -668.712
Base-Backbone interact. energy: -2.404
local terms energy: -682.390320
where:
bonds (distance) C4'-P energy: -134.306
bonds (distance) P-C4' energy: -124.607
flat angles C4'-P-C4' energy: -151.636
flat angles P-C4'-P energy: -89.281
tors. eta vs tors. theta energy: -182.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2169.697829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.697829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.697829 (E_RNA)
where:
Base-Base interactions energy: -1508.788
where: short stacking energy: -622.904
Base-Backbone interact. energy: -3.199
local terms energy: -657.710367
where:
bonds (distance) C4'-P energy: -131.736
bonds (distance) P-C4' energy: -124.579
flat angles C4'-P-C4' energy: -149.812
flat angles P-C4'-P energy: -90.159
tors. eta vs tors. theta energy: -161.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -2006.402193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.402193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.402193 (E_RNA)
where:
Base-Base interactions energy: -1366.536
where: short stacking energy: -596.300
Base-Backbone interact. energy: -1.502
local terms energy: -638.363576
where:
bonds (distance) C4'-P energy: -115.021
bonds (distance) P-C4' energy: -123.303
flat angles C4'-P-C4' energy: -147.153
flat angles P-C4'-P energy: -97.213
tors. eta vs tors. theta energy: -155.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1795.159608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.159608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.159608 (E_RNA)
where:
Base-Base interactions energy: -1241.739
where: short stacking energy: -534.760
Base-Backbone interact. energy: -1.168
local terms energy: -552.252180
where:
bonds (distance) C4'-P energy: -125.834
bonds (distance) P-C4' energy: -112.937
flat angles C4'-P-C4' energy: -117.642
flat angles P-C4'-P energy: -88.703
tors. eta vs tors. theta energy: -107.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1660.813630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.813630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.813630 (E_RNA)
where:
Base-Base interactions energy: -1120.609
where: short stacking energy: -512.107
Base-Backbone interact. energy: 1.759
local terms energy: -541.963565
where:
bonds (distance) C4'-P energy: -125.022
bonds (distance) P-C4' energy: -95.109
flat angles C4'-P-C4' energy: -112.360
flat angles P-C4'-P energy: -88.786
tors. eta vs tors. theta energy: -120.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1169.894112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.894112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.894112 (E_RNA)
where:
Base-Base interactions energy: -710.904
where: short stacking energy: -345.972
Base-Backbone interact. energy: -2.834
local terms energy: -456.156265
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -112.636
flat angles C4'-P-C4' energy: -115.218
flat angles P-C4'-P energy: -67.578
tors. eta vs tors. theta energy: -49.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1111.985820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.985820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.985820 (E_RNA)
where:
Base-Base interactions energy: -706.394
where: short stacking energy: -369.935
Base-Backbone interact. energy: 0.671
local terms energy: -406.262619
where:
bonds (distance) C4'-P energy: -92.987
bonds (distance) P-C4' energy: -107.493
flat angles C4'-P-C4' energy: -103.954
flat angles P-C4'-P energy: -50.958
tors. eta vs tors. theta energy: -50.871
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: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -921.569481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.569481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.569481 (E_RNA)
where:
Base-Base interactions energy: -534.881
where: short stacking energy: -261.738
Base-Backbone interact. energy: 0.011
local terms energy: -386.699609
where:
bonds (distance) C4'-P energy: -104.666
bonds (distance) P-C4' energy: -111.569
flat angles C4'-P-C4' energy: -116.631
flat angles P-C4'-P energy: -41.661
tors. eta vs tors. theta energy: -12.173
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2439.568884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.568884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.568884 (E_RNA)
where:
Base-Base interactions energy: -1691.102
where: short stacking energy: -746.123
Base-Backbone interact. energy: -3.283
local terms energy: -745.183498
where:
bonds (distance) C4'-P energy: -134.284
bonds (distance) P-C4' energy: -139.322
flat angles C4'-P-C4' energy: -161.899
flat angles P-C4'-P energy: -100.675
tors. eta vs tors. theta energy: -209.003
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: 78
Temperature: 0.950000
Total energy: -2260.054006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.054006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.054006 (E_RNA)
where:
Base-Base interactions energy: -1530.619
where: short stacking energy: -668.839
Base-Backbone interact. energy: 0.860
local terms energy: -730.294895
where:
bonds (distance) C4'-P energy: -134.707
bonds (distance) P-C4' energy: -146.329
flat angles C4'-P-C4' energy: -144.946
flat angles P-C4'-P energy: -119.404
tors. eta vs tors. theta energy: -184.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2204.503204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.503204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.503204 (E_RNA)
where:
Base-Base interactions energy: -1501.453
where: short stacking energy: -684.927
Base-Backbone interact. energy: -2.102
local terms energy: -700.947931
where:
bonds (distance) C4'-P energy: -131.151
bonds (distance) P-C4' energy: -132.450
flat angles C4'-P-C4' energy: -152.518
flat angles P-C4'-P energy: -98.698
tors. eta vs tors. theta energy: -186.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -2129.601385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.601385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.601385 (E_RNA)
where:
Base-Base interactions energy: -1482.883
where: short stacking energy: -595.745
Base-Backbone interact. energy: -1.724
local terms energy: -644.994594
where:
bonds (distance) C4'-P energy: -120.991
bonds (distance) P-C4' energy: -139.319
flat angles C4'-P-C4' energy: -131.332
flat angles P-C4'-P energy: -94.918
tors. eta vs tors. theta energy: -158.435
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1989.092212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.092212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.092212 (E_RNA)
where:
Base-Base interactions energy: -1324.586
where: short stacking energy: -576.431
Base-Backbone interact. energy: -1.020
local terms energy: -663.486435
where:
bonds (distance) C4'-P energy: -127.737
bonds (distance) P-C4' energy: -133.489
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -85.188
tors. eta vs tors. theta energy: -164.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1877.125312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.125312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.125312 (E_RNA)
where:
Base-Base interactions energy: -1296.432
where: short stacking energy: -533.977
Base-Backbone interact. energy: -2.585
local terms energy: -578.108653
where:
bonds (distance) C4'-P energy: -121.701
bonds (distance) P-C4' energy: -124.590
flat angles C4'-P-C4' energy: -134.875
flat angles P-C4'-P energy: -74.329
tors. eta vs tors. theta energy: -122.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1660.137462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.137462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.137462 (E_RNA)
where:
Base-Base interactions energy: -1117.119
where: short stacking energy: -474.149
Base-Backbone interact. energy: -1.407
local terms energy: -541.611293
where:
bonds (distance) C4'-P energy: -105.930
bonds (distance) P-C4' energy: -128.805
flat angles C4'-P-C4' energy: -131.440
flat angles P-C4'-P energy: -62.907
tors. eta vs tors. theta energy: -112.530
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: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1171.612337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.612337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.612337 (E_RNA)
where:
Base-Base interactions energy: -711.845
where: short stacking energy: -340.674
Base-Backbone interact. energy: -5.324
local terms energy: -454.442821
where:
bonds (distance) C4'-P energy: -124.762
bonds (distance) P-C4' energy: -100.742
flat angles C4'-P-C4' energy: -108.615
flat angles P-C4'-P energy: -78.067
tors. eta vs tors. theta energy: -42.258
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: 78
Temperature: 1.300000
Total energy: -1087.769095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.769095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.769095 (E_RNA)
where:
Base-Base interactions energy: -665.812
where: short stacking energy: -321.883
Base-Backbone interact. energy: 1.189
local terms energy: -423.146525
where:
bonds (distance) C4'-P energy: -100.289
bonds (distance) P-C4' energy: -118.662
flat angles C4'-P-C4' energy: -96.628
flat angles P-C4'-P energy: -62.179
tors. eta vs tors. theta energy: -45.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -895.669149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.669149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.669149 (E_RNA)
where:
Base-Base interactions energy: -476.963
where: short stacking energy: -248.178
Base-Backbone interact. energy: 0.251
local terms energy: -418.956647
where:
bonds (distance) C4'-P energy: -104.453
bonds (distance) P-C4' energy: -125.301
flat angles C4'-P-C4' energy: -102.923
flat angles P-C4'-P energy: -65.375
tors. eta vs tors. theta energy: -20.906
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: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2471.792911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.792911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.792911 (E_RNA)
where:
Base-Base interactions energy: -1702.650
where: short stacking energy: -754.445
Base-Backbone interact. energy: -2.413
local terms energy: -766.730189
where:
bonds (distance) C4'-P energy: -141.658
bonds (distance) P-C4' energy: -145.061
flat angles C4'-P-C4' energy: -150.412
flat angles P-C4'-P energy: -118.126
tors. eta vs tors. theta energy: -211.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2276.786397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.786397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.786397 (E_RNA)
where:
Base-Base interactions energy: -1591.943
where: short stacking energy: -695.700
Base-Backbone interact. energy: -1.094
local terms energy: -683.749415
where:
bonds (distance) C4'-P energy: -113.197
bonds (distance) P-C4' energy: -127.147
flat angles C4'-P-C4' energy: -150.793
flat angles P-C4'-P energy: -108.602
tors. eta vs tors. theta energy: -184.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2189.749076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.749076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.749076 (E_RNA)
where:
Base-Base interactions energy: -1494.429
where: short stacking energy: -649.589
Base-Backbone interact. energy: -0.692
local terms energy: -694.628536
where:
bonds (distance) C4'-P energy: -134.247
bonds (distance) P-C4' energy: -127.612
flat angles C4'-P-C4' energy: -154.746
flat angles P-C4'-P energy: -91.454
tors. eta vs tors. theta energy: -186.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2137.898468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.898468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.898468 (E_RNA)
where:
Base-Base interactions energy: -1473.428
where: short stacking energy: -600.988
Base-Backbone interact. energy: -2.063
local terms energy: -662.407163
where:
bonds (distance) C4'-P energy: -141.897
bonds (distance) P-C4' energy: -133.225
flat angles C4'-P-C4' energy: -135.631
flat angles P-C4'-P energy: -89.176
tors. eta vs tors. theta energy: -162.478
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: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1950.033553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.033553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.033553 (E_RNA)
where:
Base-Base interactions energy: -1295.228
where: short stacking energy: -559.991
Base-Backbone interact. energy: -2.247
local terms energy: -652.558552
where:
bonds (distance) C4'-P energy: -131.910
bonds (distance) P-C4' energy: -126.780
flat angles C4'-P-C4' energy: -141.689
flat angles P-C4'-P energy: -90.403
tors. eta vs tors. theta energy: -161.776
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: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1860.166665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.166665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.166665 (E_RNA)
where:
Base-Base interactions energy: -1284.347
where: short stacking energy: -558.243
Base-Backbone interact. energy: -3.965
local terms energy: -571.855297
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -109.946
flat angles C4'-P-C4' energy: -116.800
flat angles P-C4'-P energy: -82.495
tors. eta vs tors. theta energy: -139.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1694.024493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.024493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.024493 (E_RNA)
where:
Base-Base interactions energy: -1139.936
where: short stacking energy: -509.951
Base-Backbone interact. energy: -2.614
local terms energy: -551.475234
where:
bonds (distance) C4'-P energy: -99.467
bonds (distance) P-C4' energy: -114.315
flat angles C4'-P-C4' energy: -122.646
flat angles P-C4'-P energy: -86.973
tors. eta vs tors. theta energy: -128.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1133.010291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.010291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.010291 (E_RNA)
where:
Base-Base interactions energy: -658.578
where: short stacking energy: -337.873
Base-Backbone interact. energy: 3.377
local terms energy: -477.809641
where:
bonds (distance) C4'-P energy: -116.273
bonds (distance) P-C4' energy: -134.951
flat angles C4'-P-C4' energy: -111.742
flat angles P-C4'-P energy: -68.400
tors. eta vs tors. theta energy: -46.444
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: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1109.318081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.318081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.318081 (E_RNA)
where:
Base-Base interactions energy: -677.998
where: short stacking energy: -351.286
Base-Backbone interact. energy: 4.607
local terms energy: -435.926704
where:
bonds (distance) C4'-P energy: -100.784
bonds (distance) P-C4' energy: -105.177
flat angles C4'-P-C4' energy: -118.299
flat angles P-C4'-P energy: -67.860
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -967.495250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.495250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.495250 (E_RNA)
where:
Base-Base interactions energy: -572.035
where: short stacking energy: -270.637
Base-Backbone interact. energy: -2.696
local terms energy: -392.764063
where:
bonds (distance) C4'-P energy: -118.338
bonds (distance) P-C4' energy: -103.534
flat angles C4'-P-C4' energy: -93.608
flat angles P-C4'-P energy: -52.948
tors. eta vs tors. theta energy: -24.335
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: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2440.881571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.881571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.881571 (E_RNA)
where:
Base-Base interactions energy: -1681.548
where: short stacking energy: -742.917
Base-Backbone interact. energy: -3.401
local terms energy: -755.932020
where:
bonds (distance) C4'-P energy: -146.592
bonds (distance) P-C4' energy: -137.440
flat angles C4'-P-C4' energy: -161.895
flat angles P-C4'-P energy: -104.150
tors. eta vs tors. theta energy: -205.855
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: 80
Temperature: 0.950000
Total energy: -2265.912134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.912134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.912134 (E_RNA)
where:
Base-Base interactions energy: -1582.326
where: short stacking energy: -678.373
Base-Backbone interact. energy: -2.360
local terms energy: -681.226125
where:
bonds (distance) C4'-P energy: -131.880
bonds (distance) P-C4' energy: -144.064
flat angles C4'-P-C4' energy: -141.940
flat angles P-C4'-P energy: -91.171
tors. eta vs tors. theta energy: -172.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2194.781019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.781019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.781019 (E_RNA)
where:
Base-Base interactions energy: -1511.426
where: short stacking energy: -670.164
Base-Backbone interact. energy: 0.012
local terms energy: -683.366930
where:
bonds (distance) C4'-P energy: -136.922
bonds (distance) P-C4' energy: -113.003
flat angles C4'-P-C4' energy: -145.809
flat angles P-C4'-P energy: -98.884
tors. eta vs tors. theta energy: -188.749
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: 80
Temperature: 1.050000
Total energy: -2135.799273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.799273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.799273 (E_RNA)
where:
Base-Base interactions energy: -1457.220
where: short stacking energy: -643.475
Base-Backbone interact. energy: 4.444
local terms energy: -683.023018
where:
bonds (distance) C4'-P energy: -131.703
bonds (distance) P-C4' energy: -133.725
flat angles C4'-P-C4' energy: -135.185
flat angles P-C4'-P energy: -117.811
tors. eta vs tors. theta energy: -164.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -2021.839841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.839841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.839841 (E_RNA)
where:
Base-Base interactions energy: -1401.378
where: short stacking energy: -611.795
Base-Backbone interact. energy: -2.913
local terms energy: -617.548530
where:
bonds (distance) C4'-P energy: -118.428
bonds (distance) P-C4' energy: -124.498
flat angles C4'-P-C4' energy: -126.415
flat angles P-C4'-P energy: -76.685
tors. eta vs tors. theta energy: -171.523
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: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1825.359469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.359469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.359469 (E_RNA)
where:
Base-Base interactions energy: -1262.938
where: short stacking energy: -540.602
Base-Backbone interact. energy: -7.623
local terms energy: -554.798905
where:
bonds (distance) C4'-P energy: -118.210
bonds (distance) P-C4' energy: -105.472
flat angles C4'-P-C4' energy: -122.589
flat angles P-C4'-P energy: -79.688
tors. eta vs tors. theta energy: -128.840
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: 2
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1630.318347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.318347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.318347 (E_RNA)
where:
Base-Base interactions energy: -1075.968
where: short stacking energy: -499.017
Base-Backbone interact. energy: 0.142
local terms energy: -554.493049
where:
bonds (distance) C4'-P energy: -123.300
bonds (distance) P-C4' energy: -126.494
flat angles C4'-P-C4' energy: -114.198
flat angles P-C4'-P energy: -72.410
tors. eta vs tors. theta energy: -118.091
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: 80
Temperature: 1.250000
Total energy: -1194.517171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.517171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.517171 (E_RNA)
where:
Base-Base interactions energy: -736.811
where: short stacking energy: -384.405
Base-Backbone interact. energy: -1.934
local terms energy: -455.771846
where:
bonds (distance) C4'-P energy: -98.762
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -115.250
flat angles P-C4'-P energy: -66.410
tors. eta vs tors. theta energy: -60.871
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: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1091.313425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.313425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.313425 (E_RNA)
where:
Base-Base interactions energy: -616.789
where: short stacking energy: -313.684
Base-Backbone interact. energy: -4.186
local terms energy: -470.339129
where:
bonds (distance) C4'-P energy: -130.865
bonds (distance) P-C4' energy: -120.132
flat angles C4'-P-C4' energy: -105.043
flat angles P-C4'-P energy: -66.145
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1032.691106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.691106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.691106 (E_RNA)
where:
Base-Base interactions energy: -623.733
where: short stacking energy: -312.065
Base-Backbone interact. energy: 0.724
local terms energy: -409.682290
where:
bonds (distance) C4'-P energy: -114.611
bonds (distance) P-C4' energy: -86.803
flat angles C4'-P-C4' energy: -109.576
flat angles P-C4'-P energy: -62.521
tors. eta vs tors. theta energy: -36.170
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: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2443.181714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.181714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.181714 (E_RNA)
where:
Base-Base interactions energy: -1669.015
where: short stacking energy: -742.425
Base-Backbone interact. energy: -1.129
local terms energy: -773.037911
where:
bonds (distance) C4'-P energy: -138.028
bonds (distance) P-C4' energy: -133.647
flat angles C4'-P-C4' energy: -166.504
flat angles P-C4'-P energy: -118.847
tors. eta vs tors. theta energy: -216.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2286.777372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.777372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.777372 (E_RNA)
where:
Base-Base interactions energy: -1591.009
where: short stacking energy: -671.128
Base-Backbone interact. energy: -2.993
local terms energy: -692.774972
where:
bonds (distance) C4'-P energy: -124.159
bonds (distance) P-C4' energy: -139.963
flat angles C4'-P-C4' energy: -143.345
flat angles P-C4'-P energy: -101.828
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: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2231.084786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.084786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.084786 (E_RNA)
where:
Base-Base interactions energy: -1512.813
where: short stacking energy: -676.757
Base-Backbone interact. energy: -1.503
local terms energy: -716.769170
where:
bonds (distance) C4'-P energy: -143.080
bonds (distance) P-C4' energy: -143.808
flat angles C4'-P-C4' energy: -152.800
flat angles P-C4'-P energy: -95.781
tors. eta vs tors. theta energy: -181.300
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2102.602916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.602916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.602916 (E_RNA)
where:
Base-Base interactions energy: -1459.698
where: short stacking energy: -609.346
Base-Backbone interact. energy: 2.765
local terms energy: -645.669379
where:
bonds (distance) C4'-P energy: -137.714
bonds (distance) P-C4' energy: -119.458
flat angles C4'-P-C4' energy: -149.143
flat angles P-C4'-P energy: -82.550
tors. eta vs tors. theta energy: -156.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -2040.271851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.271851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.271851 (E_RNA)
where:
Base-Base interactions energy: -1404.225
where: short stacking energy: -593.115
Base-Backbone interact. energy: -2.149
local terms energy: -633.898170
where:
bonds (distance) C4'-P energy: -116.006
bonds (distance) P-C4' energy: -111.364
flat angles C4'-P-C4' energy: -142.694
flat angles P-C4'-P energy: -93.389
tors. eta vs tors. theta energy: -170.445
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: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1901.621517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.621517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.621517 (E_RNA)
where:
Base-Base interactions energy: -1319.169
where: short stacking energy: -563.096
Base-Backbone interact. energy: -1.542
local terms energy: -580.911347
where:
bonds (distance) C4'-P energy: -127.171
bonds (distance) P-C4' energy: -116.134
flat angles C4'-P-C4' energy: -125.186
flat angles P-C4'-P energy: -88.913
tors. eta vs tors. theta energy: -123.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1571.021832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.021832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.021832 (E_RNA)
where:
Base-Base interactions energy: -1014.798
where: short stacking energy: -465.834
Base-Backbone interact. energy: -3.047
local terms energy: -553.176354
where:
bonds (distance) C4'-P energy: -129.456
bonds (distance) P-C4' energy: -112.027
flat angles C4'-P-C4' energy: -132.003
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -115.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1265.107619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.107619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.107619 (E_RNA)
where:
Base-Base interactions energy: -801.278
where: short stacking energy: -356.683
Base-Backbone interact. energy: 1.237
local terms energy: -465.066201
where:
bonds (distance) C4'-P energy: -115.019
bonds (distance) P-C4' energy: -118.182
flat angles C4'-P-C4' energy: -114.214
flat angles P-C4'-P energy: -62.319
tors. eta vs tors. theta energy: -55.332
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: 81
Temperature: 1.300000
Total energy: -1120.709797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.709797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.709797 (E_RNA)
where:
Base-Base interactions energy: -665.198
where: short stacking energy: -319.490
Base-Backbone interact. energy: -1.771
local terms energy: -453.741352
where:
bonds (distance) C4'-P energy: -122.538
bonds (distance) P-C4' energy: -105.982
flat angles C4'-P-C4' energy: -100.276
flat angles P-C4'-P energy: -78.902
tors. eta vs tors. theta energy: -46.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1026.310197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.310197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.310197 (E_RNA)
where:
Base-Base interactions energy: -637.565
where: short stacking energy: -282.754
Base-Backbone interact. energy: -1.243
local terms energy: -387.502027
where:
bonds (distance) C4'-P energy: -108.535
bonds (distance) P-C4' energy: -112.946
flat angles C4'-P-C4' energy: -106.175
flat angles P-C4'-P energy: -42.615
tors. eta vs tors. theta energy: -17.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2457.388768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.388768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.388768 (E_RNA)
where:
Base-Base interactions energy: -1705.047
where: short stacking energy: -770.151
Base-Backbone interact. energy: -3.574
local terms energy: -748.767632
where:
bonds (distance) C4'-P energy: -138.619
bonds (distance) P-C4' energy: -143.186
flat angles C4'-P-C4' energy: -162.777
flat angles P-C4'-P energy: -99.837
tors. eta vs tors. theta energy: -204.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2260.385909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.385909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.385909 (E_RNA)
where:
Base-Base interactions energy: -1582.621
where: short stacking energy: -675.195
Base-Backbone interact. energy: 0.345
local terms energy: -678.110457
where:
bonds (distance) C4'-P energy: -129.702
bonds (distance) P-C4' energy: -118.213
flat angles C4'-P-C4' energy: -161.438
flat angles P-C4'-P energy: -96.819
tors. eta vs tors. theta energy: -171.940
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: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2246.673550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.673550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.673550 (E_RNA)
where:
Base-Base interactions energy: -1529.952
where: short stacking energy: -692.936
Base-Backbone interact. energy: -0.685
local terms energy: -716.036823
where:
bonds (distance) C4'-P energy: -126.624
bonds (distance) P-C4' energy: -134.036
flat angles C4'-P-C4' energy: -156.574
flat angles P-C4'-P energy: -101.023
tors. eta vs tors. theta energy: -197.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2102.873948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.873948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.873948 (E_RNA)
where:
Base-Base interactions energy: -1471.132
where: short stacking energy: -617.104
Base-Backbone interact. energy: -1.691
local terms energy: -630.051356
where:
bonds (distance) C4'-P energy: -118.141
bonds (distance) P-C4' energy: -129.763
flat angles C4'-P-C4' energy: -145.322
flat angles P-C4'-P energy: -91.567
tors. eta vs tors. theta energy: -145.257
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: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -2008.436430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.436430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.436430 (E_RNA)
where:
Base-Base interactions energy: -1384.762
where: short stacking energy: -583.140
Base-Backbone interact. energy: 1.823
local terms energy: -625.497520
where:
bonds (distance) C4'-P energy: -123.541
bonds (distance) P-C4' energy: -113.121
flat angles C4'-P-C4' energy: -140.836
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -151.299
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1831.994128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.994128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.994128 (E_RNA)
where:
Base-Base interactions energy: -1267.946
where: short stacking energy: -534.038
Base-Backbone interact. energy: -4.173
local terms energy: -559.874339
where:
bonds (distance) C4'-P energy: -115.759
bonds (distance) P-C4' energy: -105.605
flat angles C4'-P-C4' energy: -124.532
flat angles P-C4'-P energy: -90.136
tors. eta vs tors. theta energy: -123.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1505.284276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.284276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.284276 (E_RNA)
where:
Base-Base interactions energy: -1005.975
where: short stacking energy: -462.524
Base-Backbone interact. energy: -2.812
local terms energy: -496.497300
where:
bonds (distance) C4'-P energy: -102.619
bonds (distance) P-C4' energy: -125.646
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -63.497
tors. eta vs tors. theta energy: -92.621
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: 8, replica: 8
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1230.382415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.382415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.382415 (E_RNA)
where:
Base-Base interactions energy: -748.388
where: short stacking energy: -351.321
Base-Backbone interact. energy: 4.181
local terms energy: -486.175597
where:
bonds (distance) C4'-P energy: -117.251
bonds (distance) P-C4' energy: -123.172
flat angles C4'-P-C4' energy: -123.318
flat angles P-C4'-P energy: -81.647
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1073.511883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.511883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.511883 (E_RNA)
where:
Base-Base interactions energy: -635.036
where: short stacking energy: -325.363
Base-Backbone interact. energy: -1.258
local terms energy: -437.218545
where:
bonds (distance) C4'-P energy: -102.428
bonds (distance) P-C4' energy: -106.734
flat angles C4'-P-C4' energy: -117.479
flat angles P-C4'-P energy: -56.006
tors. eta vs tors. theta energy: -54.571
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: 82
Temperature: 1.350000
Total energy: -1093.721914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.721914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.721914 (E_RNA)
where:
Base-Base interactions energy: -705.153
where: short stacking energy: -331.589
Base-Backbone interact. energy: 0.319
local terms energy: -388.888602
where:
bonds (distance) C4'-P energy: -81.642
bonds (distance) P-C4' energy: -110.505
flat angles C4'-P-C4' energy: -88.425
flat angles P-C4'-P energy: -73.777
tors. eta vs tors. theta energy: -34.540
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: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2427.474114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.474114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.474114 (E_RNA)
where:
Base-Base interactions energy: -1694.951
where: short stacking energy: -759.206
Base-Backbone interact. energy: -5.814
local terms energy: -726.709092
where:
bonds (distance) C4'-P energy: -130.202
bonds (distance) P-C4' energy: -152.365
flat angles C4'-P-C4' energy: -145.333
flat angles P-C4'-P energy: -97.654
tors. eta vs tors. theta energy: -201.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2374.855681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.855681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.855681 (E_RNA)
where:
Base-Base interactions energy: -1639.366
where: short stacking energy: -742.540
Base-Backbone interact. energy: -0.968
local terms energy: -734.520883
where:
bonds (distance) C4'-P energy: -147.615
bonds (distance) P-C4' energy: -135.102
flat angles C4'-P-C4' energy: -143.074
flat angles P-C4'-P energy: -101.092
tors. eta vs tors. theta energy: -207.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2191.364463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.364463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.364463 (E_RNA)
where:
Base-Base interactions energy: -1516.034
where: short stacking energy: -640.368
Base-Backbone interact. energy: -2.025
local terms energy: -673.305398
where:
bonds (distance) C4'-P energy: -123.483
bonds (distance) P-C4' energy: -125.151
flat angles C4'-P-C4' energy: -147.758
flat angles P-C4'-P energy: -100.409
tors. eta vs tors. theta energy: -176.504
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: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2123.904276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.904276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.904276 (E_RNA)
where:
Base-Base interactions energy: -1477.985
where: short stacking energy: -608.521
Base-Backbone interact. energy: 0.471
local terms energy: -646.389770
where:
bonds (distance) C4'-P energy: -130.424
bonds (distance) P-C4' energy: -129.738
flat angles C4'-P-C4' energy: -138.120
flat angles P-C4'-P energy: -85.900
tors. eta vs tors. theta energy: -162.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -2003.887135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.887135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.887135 (E_RNA)
where:
Base-Base interactions energy: -1345.440
where: short stacking energy: -594.196
Base-Backbone interact. energy: -0.554
local terms energy: -657.893659
where:
bonds (distance) C4'-P energy: -117.762
bonds (distance) P-C4' energy: -140.262
flat angles C4'-P-C4' energy: -135.212
flat angles P-C4'-P energy: -97.797
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: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1905.075946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.075946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.075946 (E_RNA)
where:
Base-Base interactions energy: -1303.785
where: short stacking energy: -562.381
Base-Backbone interact. energy: -5.179
local terms energy: -596.112009
where:
bonds (distance) C4'-P energy: -104.091
bonds (distance) P-C4' energy: -121.785
flat angles C4'-P-C4' energy: -133.662
flat angles P-C4'-P energy: -86.068
tors. eta vs tors. theta energy: -150.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1549.501094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.501094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.501094 (E_RNA)
where:
Base-Base interactions energy: -1009.715
where: short stacking energy: -486.450
Base-Backbone interact. energy: -3.408
local terms energy: -536.377402
where:
bonds (distance) C4'-P energy: -120.767
bonds (distance) P-C4' energy: -113.663
flat angles C4'-P-C4' energy: -121.356
flat angles P-C4'-P energy: -77.396
tors. eta vs tors. theta energy: -103.195
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1353.049124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.049124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.049124 (E_RNA)
where:
Base-Base interactions energy: -862.266
where: short stacking energy: -413.626
Base-Backbone interact. energy: -4.070
local terms energy: -486.713001
where:
bonds (distance) C4'-P energy: -114.163
bonds (distance) P-C4' energy: -112.351
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -73.091
tors. eta vs tors. theta energy: -83.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1028.562531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.562531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.562531 (E_RNA)
where:
Base-Base interactions energy: -603.349
where: short stacking energy: -314.441
Base-Backbone interact. energy: 4.156
local terms energy: -429.370164
where:
bonds (distance) C4'-P energy: -101.460
bonds (distance) P-C4' energy: -117.962
flat angles C4'-P-C4' energy: -126.615
flat angles P-C4'-P energy: -57.697
tors. eta vs tors. theta energy: -25.638
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: 83
Temperature: 1.350000
Total energy: -1059.576444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.576444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.576444 (E_RNA)
where:
Base-Base interactions energy: -656.927
where: short stacking energy: -312.349
Base-Backbone interact. energy: 1.534
local terms energy: -404.184247
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -105.719
flat angles C4'-P-C4' energy: -89.703
flat angles P-C4'-P energy: -71.789
tors. eta vs tors. theta energy: -34.394
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: 5
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2393.747989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.747989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.747989 (E_RNA)
where:
Base-Base interactions energy: -1641.450
where: short stacking energy: -726.835
Base-Backbone interact. energy: -2.441
local terms energy: -749.857276
where:
bonds (distance) C4'-P energy: -136.944
bonds (distance) P-C4' energy: -153.024
flat angles C4'-P-C4' energy: -147.360
flat angles P-C4'-P energy: -107.154
tors. eta vs tors. theta energy: -205.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2400.606100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.606100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.606100 (E_RNA)
where:
Base-Base interactions energy: -1678.359
where: short stacking energy: -726.754
Base-Backbone interact. energy: -3.284
local terms energy: -718.962730
where:
bonds (distance) C4'-P energy: -126.470
bonds (distance) P-C4' energy: -129.489
flat angles C4'-P-C4' energy: -155.703
flat angles P-C4'-P energy: -113.702
tors. eta vs tors. theta energy: -193.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2197.450181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.450181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.450181 (E_RNA)
where:
Base-Base interactions energy: -1524.901
where: short stacking energy: -668.485
Base-Backbone interact. energy: -1.656
local terms energy: -670.893368
where:
bonds (distance) C4'-P energy: -125.579
bonds (distance) P-C4' energy: -141.508
flat angles C4'-P-C4' energy: -147.714
flat angles P-C4'-P energy: -85.549
tors. eta vs tors. theta energy: -170.544
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: 84
Temperature: 1.050000
Total energy: -2131.709716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.709716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.709716 (E_RNA)
where:
Base-Base interactions energy: -1471.684
where: short stacking energy: -631.924
Base-Backbone interact. energy: -0.125
local terms energy: -659.900592
where:
bonds (distance) C4'-P energy: -114.708
bonds (distance) P-C4' energy: -133.823
flat angles C4'-P-C4' energy: -149.038
flat angles P-C4'-P energy: -92.467
tors. eta vs tors. theta energy: -169.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -2015.137275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.137275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.137275 (E_RNA)
where:
Base-Base interactions energy: -1404.423
where: short stacking energy: -600.661
Base-Backbone interact. energy: -2.112
local terms energy: -608.602369
where:
bonds (distance) C4'-P energy: -118.803
bonds (distance) P-C4' energy: -120.369
flat angles C4'-P-C4' energy: -129.434
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -158.084
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: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1927.375547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.375547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.375547 (E_RNA)
where:
Base-Base interactions energy: -1350.185
where: short stacking energy: -557.378
Base-Backbone interact. energy: -0.266
local terms energy: -576.924469
where:
bonds (distance) C4'-P energy: -123.180
bonds (distance) P-C4' energy: -130.191
flat angles C4'-P-C4' energy: -122.112
flat angles P-C4'-P energy: -76.943
tors. eta vs tors. theta energy: -124.499
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: 7, replica: 2
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1546.331576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.331576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.331576 (E_RNA)
where:
Base-Base interactions energy: -978.510
where: short stacking energy: -428.571
Base-Backbone interact. energy: -0.401
local terms energy: -567.420620
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -141.243
flat angles C4'-P-C4' energy: -140.671
flat angles P-C4'-P energy: -72.896
tors. eta vs tors. theta energy: -93.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1311.513921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.513921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.513921 (E_RNA)
where:
Base-Base interactions energy: -801.843
where: short stacking energy: -381.005
Base-Backbone interact. energy: -0.145
local terms energy: -509.525784
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -122.245
flat angles C4'-P-C4' energy: -125.733
flat angles P-C4'-P energy: -78.381
tors. eta vs tors. theta energy: -72.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1099.032967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.032967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.032967 (E_RNA)
where:
Base-Base interactions energy: -663.099
where: short stacking energy: -348.149
Base-Backbone interact. energy: 5.394
local terms energy: -441.327576
where:
bonds (distance) C4'-P energy: -109.865
bonds (distance) P-C4' energy: -112.068
flat angles C4'-P-C4' energy: -102.213
flat angles P-C4'-P energy: -61.593
tors. eta vs tors. theta energy: -55.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1058.271679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.271679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.271679 (E_RNA)
where:
Base-Base interactions energy: -663.461
where: short stacking energy: -306.975
Base-Backbone interact. energy: 6.601
local terms energy: -401.411281
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -96.521
flat angles C4'-P-C4' energy: -106.485
flat angles P-C4'-P energy: -59.618
tors. eta vs tors. theta energy: -39.405
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: 85
Temperature: 0.900000
Total energy: -2390.995590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.995590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.995590 (E_RNA)
where:
Base-Base interactions energy: -1673.192
where: short stacking energy: -730.769
Base-Backbone interact. energy: 0.353
local terms energy: -718.156784
where:
bonds (distance) C4'-P energy: -138.218
bonds (distance) P-C4' energy: -128.539
flat angles C4'-P-C4' energy: -162.902
flat angles P-C4'-P energy: -88.557
tors. eta vs tors. theta energy: -199.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2401.880227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.880227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.880227 (E_RNA)
where:
Base-Base interactions energy: -1692.925
where: short stacking energy: -738.396
Base-Backbone interact. energy: -2.107
local terms energy: -706.847916
where:
bonds (distance) C4'-P energy: -118.918
bonds (distance) P-C4' energy: -138.394
flat angles C4'-P-C4' energy: -154.183
flat angles P-C4'-P energy: -85.389
tors. eta vs tors. theta energy: -209.964
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: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2171.483610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.483610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.483610 (E_RNA)
where:
Base-Base interactions energy: -1504.687
where: short stacking energy: -658.732
Base-Backbone interact. energy: -1.102
local terms energy: -665.694636
where:
bonds (distance) C4'-P energy: -118.135
bonds (distance) P-C4' energy: -125.207
flat angles C4'-P-C4' energy: -150.003
flat angles P-C4'-P energy: -100.382
tors. eta vs tors. theta energy: -171.967
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: 85
Temperature: 1.050000
Total energy: -2115.184824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.184824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.184824 (E_RNA)
where:
Base-Base interactions energy: -1446.723
where: short stacking energy: -609.250
Base-Backbone interact. energy: -2.183
local terms energy: -666.278414
where:
bonds (distance) C4'-P energy: -123.463
bonds (distance) P-C4' energy: -138.693
flat angles C4'-P-C4' energy: -160.678
flat angles P-C4'-P energy: -81.916
tors. eta vs tors. theta energy: -161.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -2012.178716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.178716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.178716 (E_RNA)
where:
Base-Base interactions energy: -1376.798
where: short stacking energy: -619.659
Base-Backbone interact. energy: -0.085
local terms energy: -635.295382
where:
bonds (distance) C4'-P energy: -115.012
bonds (distance) P-C4' energy: -134.025
flat angles C4'-P-C4' energy: -134.719
flat angles P-C4'-P energy: -86.886
tors. eta vs tors. theta energy: -164.654
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: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1980.901305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.901305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.901305 (E_RNA)
where:
Base-Base interactions energy: -1390.855
where: short stacking energy: -585.163
Base-Backbone interact. energy: -0.032
local terms energy: -590.014727
where:
bonds (distance) C4'-P energy: -114.974
bonds (distance) P-C4' energy: -108.531
flat angles C4'-P-C4' energy: -143.118
flat angles P-C4'-P energy: -79.284
tors. eta vs tors. theta energy: -144.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1583.246857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.246857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.246857 (E_RNA)
where:
Base-Base interactions energy: -1013.129
where: short stacking energy: -470.693
Base-Backbone interact. energy: -2.404
local terms energy: -567.713116
where:
bonds (distance) C4'-P energy: -130.175
bonds (distance) P-C4' energy: -129.474
flat angles C4'-P-C4' energy: -110.327
flat angles P-C4'-P energy: -85.089
tors. eta vs tors. theta energy: -112.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1288.666302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.666302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.666302 (E_RNA)
where:
Base-Base interactions energy: -789.342
where: short stacking energy: -360.214
Base-Backbone interact. energy: -0.650
local terms energy: -498.674171
where:
bonds (distance) C4'-P energy: -127.242
bonds (distance) P-C4' energy: -123.359
flat angles C4'-P-C4' energy: -103.123
flat angles P-C4'-P energy: -87.055
tors. eta vs tors. theta energy: -57.895
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: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1064.521511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.521511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.521511 (E_RNA)
where:
Base-Base interactions energy: -655.770
where: short stacking energy: -339.518
Base-Backbone interact. energy: 10.938
local terms energy: -419.689695
where:
bonds (distance) C4'-P energy: -83.957
bonds (distance) P-C4' energy: -125.708
flat angles C4'-P-C4' energy: -95.198
flat angles P-C4'-P energy: -47.736
tors. eta vs tors. theta energy: -67.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1020.080918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.080918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.080918 (E_RNA)
where:
Base-Base interactions energy: -612.388
where: short stacking energy: -295.864
Base-Backbone interact. energy: -4.842
local terms energy: -402.851402
where:
bonds (distance) C4'-P energy: -111.801
bonds (distance) P-C4' energy: -106.532
flat angles C4'-P-C4' energy: -88.953
flat angles P-C4'-P energy: -71.396
tors. eta vs tors. theta energy: -24.170
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: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2438.768709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.768709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.768709 (E_RNA)
where:
Base-Base interactions energy: -1687.634
where: short stacking energy: -722.670
Base-Backbone interact. energy: -3.626
local terms energy: -747.508734
where:
bonds (distance) C4'-P energy: -138.074
bonds (distance) P-C4' energy: -130.022
flat angles C4'-P-C4' energy: -170.814
flat angles P-C4'-P energy: -114.382
tors. eta vs tors. theta energy: -194.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2320.781933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.781933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.781933 (E_RNA)
where:
Base-Base interactions energy: -1617.138
where: short stacking energy: -724.759
Base-Backbone interact. energy: 2.259
local terms energy: -705.903648
where:
bonds (distance) C4'-P energy: -129.330
bonds (distance) P-C4' energy: -144.968
flat angles C4'-P-C4' energy: -141.945
flat angles P-C4'-P energy: -91.330
tors. eta vs tors. theta energy: -198.329
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: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2184.408142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.408142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.408142 (E_RNA)
where:
Base-Base interactions energy: -1488.386
where: short stacking energy: -661.089
Base-Backbone interact. energy: -2.944
local terms energy: -693.078778
where:
bonds (distance) C4'-P energy: -131.488
bonds (distance) P-C4' energy: -136.827
flat angles C4'-P-C4' energy: -142.502
flat angles P-C4'-P energy: -111.129
tors. eta vs tors. theta energy: -171.133
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: 3
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2095.932919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.932919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.932919 (E_RNA)
where:
Base-Base interactions energy: -1463.515
where: short stacking energy: -615.624
Base-Backbone interact. energy: 3.591
local terms energy: -636.008317
where:
bonds (distance) C4'-P energy: -123.680
bonds (distance) P-C4' energy: -127.905
flat angles C4'-P-C4' energy: -136.214
flat angles P-C4'-P energy: -87.196
tors. eta vs tors. theta energy: -161.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -2040.080715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.080715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.080715 (E_RNA)
where:
Base-Base interactions energy: -1387.157
where: short stacking energy: -614.916
Base-Backbone interact. energy: -0.954
local terms energy: -651.969855
where:
bonds (distance) C4'-P energy: -112.748
bonds (distance) P-C4' energy: -136.808
flat angles C4'-P-C4' energy: -148.077
flat angles P-C4'-P energy: -88.686
tors. eta vs tors. theta energy: -165.651
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: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1828.336839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.336839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.336839 (E_RNA)
where:
Base-Base interactions energy: -1267.347
where: short stacking energy: -560.664
Base-Backbone interact. energy: 1.779
local terms energy: -562.769051
where:
bonds (distance) C4'-P energy: -125.858
bonds (distance) P-C4' energy: -109.416
flat angles C4'-P-C4' energy: -111.138
flat angles P-C4'-P energy: -86.708
tors. eta vs tors. theta energy: -129.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1585.017865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.017865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.017865 (E_RNA)
where:
Base-Base interactions energy: -1019.335
where: short stacking energy: -497.439
Base-Backbone interact. energy: -6.148
local terms energy: -559.534942
where:
bonds (distance) C4'-P energy: -125.974
bonds (distance) P-C4' energy: -104.542
flat angles C4'-P-C4' energy: -130.808
flat angles P-C4'-P energy: -81.430
tors. eta vs tors. theta energy: -116.780
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: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1207.443910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.443910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.443910 (E_RNA)
where:
Base-Base interactions energy: -755.889
where: short stacking energy: -335.155
Base-Backbone interact. energy: -3.841
local terms energy: -447.713608
where:
bonds (distance) C4'-P energy: -124.876
bonds (distance) P-C4' energy: -122.752
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: -34.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1143.410136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.410136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.410136 (E_RNA)
where:
Base-Base interactions energy: -697.185
where: short stacking energy: -331.756
Base-Backbone interact. energy: -1.861
local terms energy: -444.364855
where:
bonds (distance) C4'-P energy: -93.734
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -113.368
flat angles P-C4'-P energy: -73.608
tors. eta vs tors. theta energy: -50.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1019.638952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.638952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.638952 (E_RNA)
where:
Base-Base interactions energy: -612.815
where: short stacking energy: -302.324
Base-Backbone interact. energy: 1.629
local terms energy: -408.452832
where:
bonds (distance) C4'-P energy: -91.714
bonds (distance) P-C4' energy: -118.484
flat angles C4'-P-C4' energy: -109.438
flat angles P-C4'-P energy: -58.921
tors. eta vs tors. theta energy: -29.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2456.847157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.847157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.847157 (E_RNA)
where:
Base-Base interactions energy: -1712.028
where: short stacking energy: -740.288
Base-Backbone interact. energy: -1.659
local terms energy: -743.159451
where:
bonds (distance) C4'-P energy: -137.931
bonds (distance) P-C4' energy: -130.113
flat angles C4'-P-C4' energy: -163.185
flat angles P-C4'-P energy: -113.476
tors. eta vs tors. theta energy: -198.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2296.178992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.178992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.178992 (E_RNA)
where:
Base-Base interactions energy: -1559.075
where: short stacking energy: -689.524
Base-Backbone interact. energy: -3.138
local terms energy: -733.965877
where:
bonds (distance) C4'-P energy: -140.591
bonds (distance) P-C4' energy: -141.522
flat angles C4'-P-C4' energy: -150.084
flat angles P-C4'-P energy: -108.642
tors. eta vs tors. theta energy: -193.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2151.620580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.620580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.620580 (E_RNA)
where:
Base-Base interactions energy: -1491.364
where: short stacking energy: -621.455
Base-Backbone interact. energy: 3.670
local terms energy: -663.926825
where:
bonds (distance) C4'-P energy: -117.811
bonds (distance) P-C4' energy: -129.661
flat angles C4'-P-C4' energy: -147.364
flat angles P-C4'-P energy: -100.711
tors. eta vs tors. theta energy: -168.380
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: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2177.806942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.806942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.806942 (E_RNA)
where:
Base-Base interactions energy: -1491.795
where: short stacking energy: -630.498
Base-Backbone interact. energy: -2.237
local terms energy: -683.775040
where:
bonds (distance) C4'-P energy: -127.935
bonds (distance) P-C4' energy: -143.491
flat angles C4'-P-C4' energy: -155.689
flat angles P-C4'-P energy: -94.245
tors. eta vs tors. theta energy: -162.415
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: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -2052.769311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.769311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.769311 (E_RNA)
where:
Base-Base interactions energy: -1415.389
where: short stacking energy: -581.567
Base-Backbone interact. energy: -0.934
local terms energy: -636.446308
where:
bonds (distance) C4'-P energy: -116.241
bonds (distance) P-C4' energy: -123.451
flat angles C4'-P-C4' energy: -139.196
flat angles P-C4'-P energy: -89.245
tors. eta vs tors. theta energy: -168.313
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1812.494223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.494223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.494223 (E_RNA)
where:
Base-Base interactions energy: -1222.080
where: short stacking energy: -517.659
Base-Backbone interact. energy: -0.025
local terms energy: -590.389466
where:
bonds (distance) C4'-P energy: -117.429
bonds (distance) P-C4' energy: -121.895
flat angles C4'-P-C4' energy: -136.046
flat angles P-C4'-P energy: -95.164
tors. eta vs tors. theta energy: -119.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1570.282872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.282872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.282872 (E_RNA)
where:
Base-Base interactions energy: -997.097
where: short stacking energy: -475.343
Base-Backbone interact. energy: 3.611
local terms energy: -576.796244
where:
bonds (distance) C4'-P energy: -121.458
bonds (distance) P-C4' energy: -126.618
flat angles C4'-P-C4' energy: -132.772
flat angles P-C4'-P energy: -77.282
tors. eta vs tors. theta energy: -118.665
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: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1248.164562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.164562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.164562 (E_RNA)
where:
Base-Base interactions energy: -773.989
where: short stacking energy: -367.676
Base-Backbone interact. energy: 1.350
local terms energy: -475.525814
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -121.944
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -51.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1162.099303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.099303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.099303 (E_RNA)
where:
Base-Base interactions energy: -702.776
where: short stacking energy: -353.455
Base-Backbone interact. energy: 1.775
local terms energy: -461.098198
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -109.626
flat angles C4'-P-C4' energy: -115.842
flat angles P-C4'-P energy: -55.945
tors. eta vs tors. theta energy: -60.494
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: 87
Temperature: 1.350000
Total energy: -1039.243809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.243809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.243809 (E_RNA)
where:
Base-Base interactions energy: -609.673
where: short stacking energy: -317.554
Base-Backbone interact. energy: 0.953
local terms energy: -430.523098
where:
bonds (distance) C4'-P energy: -125.181
bonds (distance) P-C4' energy: -124.332
flat angles C4'-P-C4' energy: -98.435
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: -31.948
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: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2471.286083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.286083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.286083 (E_RNA)
where:
Base-Base interactions energy: -1724.837
where: short stacking energy: -721.639
Base-Backbone interact. energy: -0.922
local terms energy: -745.526931
where:
bonds (distance) C4'-P energy: -135.740
bonds (distance) P-C4' energy: -134.618
flat angles C4'-P-C4' energy: -162.300
flat angles P-C4'-P energy: -108.557
tors. eta vs tors. theta energy: -204.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2320.713097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.713097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.713097 (E_RNA)
where:
Base-Base interactions energy: -1598.013
where: short stacking energy: -714.084
Base-Backbone interact. energy: -1.880
local terms energy: -720.820469
where:
bonds (distance) C4'-P energy: -123.884
bonds (distance) P-C4' energy: -140.341
flat angles C4'-P-C4' energy: -158.479
flat angles P-C4'-P energy: -99.517
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2183.146511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.146511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.146511 (E_RNA)
where:
Base-Base interactions energy: -1521.315
where: short stacking energy: -632.316
Base-Backbone interact. energy: 0.344
local terms energy: -662.175632
where:
bonds (distance) C4'-P energy: -126.522
bonds (distance) P-C4' energy: -121.804
flat angles C4'-P-C4' energy: -156.945
flat angles P-C4'-P energy: -89.487
tors. eta vs tors. theta energy: -167.418
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: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -2165.037372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.037372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.037372 (E_RNA)
where:
Base-Base interactions energy: -1481.487
where: short stacking energy: -653.239
Base-Backbone interact. energy: 1.499
local terms energy: -685.049336
where:
bonds (distance) C4'-P energy: -128.890
bonds (distance) P-C4' energy: -136.444
flat angles C4'-P-C4' energy: -142.603
flat angles P-C4'-P energy: -99.758
tors. eta vs tors. theta energy: -177.354
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -2021.211747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.211747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.211747 (E_RNA)
where:
Base-Base interactions energy: -1416.650
where: short stacking energy: -605.580
Base-Backbone interact. energy: -5.131
local terms energy: -599.430912
where:
bonds (distance) C4'-P energy: -115.403
bonds (distance) P-C4' energy: -123.983
flat angles C4'-P-C4' energy: -124.859
flat angles P-C4'-P energy: -94.238
tors. eta vs tors. theta energy: -140.947
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: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1847.711028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.711028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.711028 (E_RNA)
where:
Base-Base interactions energy: -1251.360
where: short stacking energy: -546.708
Base-Backbone interact. energy: 4.533
local terms energy: -600.884237
where:
bonds (distance) C4'-P energy: -124.287
bonds (distance) P-C4' energy: -129.397
flat angles C4'-P-C4' energy: -129.871
flat angles P-C4'-P energy: -86.780
tors. eta vs tors. theta energy: -130.548
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: 2
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1589.503630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.503630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.503630 (E_RNA)
where:
Base-Base interactions energy: -1044.901
where: short stacking energy: -493.201
Base-Backbone interact. energy: -1.155
local terms energy: -543.447842
where:
bonds (distance) C4'-P energy: -112.364
bonds (distance) P-C4' energy: -121.746
flat angles C4'-P-C4' energy: -112.550
flat angles P-C4'-P energy: -83.432
tors. eta vs tors. theta energy: -113.356
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: 88
Temperature: 1.250000
Total energy: -1208.925204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.925204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.925204 (E_RNA)
where:
Base-Base interactions energy: -746.340
where: short stacking energy: -326.012
Base-Backbone interact. energy: -1.177
local terms energy: -461.408149
where:
bonds (distance) C4'-P energy: -109.720
bonds (distance) P-C4' energy: -133.344
flat angles C4'-P-C4' energy: -106.615
flat angles P-C4'-P energy: -55.722
tors. eta vs tors. theta energy: -56.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1185.146803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.146803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.146803 (E_RNA)
where:
Base-Base interactions energy: -710.261
where: short stacking energy: -353.872
Base-Backbone interact. energy: 5.473
local terms energy: -480.359639
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -132.109
flat angles P-C4'-P energy: -66.436
tors. eta vs tors. theta energy: -68.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -958.094616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.094616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.094616 (E_RNA)
where:
Base-Base interactions energy: -607.342
where: short stacking energy: -307.402
Base-Backbone interact. energy: 2.663
local terms energy: -353.415571
where:
bonds (distance) C4'-P energy: -110.907
bonds (distance) P-C4' energy: -99.122
flat angles C4'-P-C4' energy: -88.492
flat angles P-C4'-P energy: -50.553
tors. eta vs tors. theta energy: -4.341
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: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2476.817397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.817397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.817397 (E_RNA)
where:
Base-Base interactions energy: -1725.979
where: short stacking energy: -734.190
Base-Backbone interact. energy: -3.187
local terms energy: -747.651297
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -138.095
flat angles C4'-P-C4' energy: -157.483
flat angles P-C4'-P energy: -110.001
tors. eta vs tors. theta energy: -209.534
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: 89
Temperature: 0.950000
Total energy: -2345.235003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.235003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.235003 (E_RNA)
where:
Base-Base interactions energy: -1636.695
where: short stacking energy: -731.585
Base-Backbone interact. energy: -3.177
local terms energy: -705.363409
where:
bonds (distance) C4'-P energy: -123.162
bonds (distance) P-C4' energy: -135.701
flat angles C4'-P-C4' energy: -143.253
flat angles P-C4'-P energy: -96.817
tors. eta vs tors. theta energy: -206.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2170.878659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.878659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.878659 (E_RNA)
where:
Base-Base interactions energy: -1471.749
where: short stacking energy: -640.180
Base-Backbone interact. energy: -1.553
local terms energy: -697.576754
where:
bonds (distance) C4'-P energy: -126.920
bonds (distance) P-C4' energy: -136.889
flat angles C4'-P-C4' energy: -156.762
flat angles P-C4'-P energy: -101.994
tors. eta vs tors. theta energy: -175.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -2127.833667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.833667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.833667 (E_RNA)
where:
Base-Base interactions energy: -1451.170
where: short stacking energy: -620.890
Base-Backbone interact. energy: -1.975
local terms energy: -674.688109
where:
bonds (distance) C4'-P energy: -123.653
bonds (distance) P-C4' energy: -117.287
flat angles C4'-P-C4' energy: -160.805
flat angles P-C4'-P energy: -107.900
tors. eta vs tors. theta energy: -165.043
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: 89
Temperature: 1.100000
Total energy: -1994.846999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.846999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.846999 (E_RNA)
where:
Base-Base interactions energy: -1369.086
where: short stacking energy: -562.272
Base-Backbone interact. energy: 1.294
local terms energy: -627.054841
where:
bonds (distance) C4'-P energy: -126.985
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -137.656
flat angles P-C4'-P energy: -97.279
tors. eta vs tors. theta energy: -140.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1787.755090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.755090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.755090 (E_RNA)
where:
Base-Base interactions energy: -1230.049
where: short stacking energy: -538.045
Base-Backbone interact. energy: -1.414
local terms energy: -556.291432
where:
bonds (distance) C4'-P energy: -116.045
bonds (distance) P-C4' energy: -111.408
flat angles C4'-P-C4' energy: -130.350
flat angles P-C4'-P energy: -67.511
tors. eta vs tors. theta energy: -130.977
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: 2
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1565.077249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.077249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.077249 (E_RNA)
where:
Base-Base interactions energy: -1029.154
where: short stacking energy: -483.431
Base-Backbone interact. energy: -2.454
local terms energy: -533.468726
where:
bonds (distance) C4'-P energy: -97.303
bonds (distance) P-C4' energy: -119.119
flat angles C4'-P-C4' energy: -134.502
flat angles P-C4'-P energy: -70.359
tors. eta vs tors. theta energy: -112.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1259.131047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.131047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.131047 (E_RNA)
where:
Base-Base interactions energy: -813.835
where: short stacking energy: -405.004
Base-Backbone interact. energy: 0.856
local terms energy: -446.152251
where:
bonds (distance) C4'-P energy: -118.325
bonds (distance) P-C4' energy: -104.515
flat angles C4'-P-C4' energy: -99.466
flat angles P-C4'-P energy: -52.690
tors. eta vs tors. theta energy: -71.157
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: 89
Temperature: 1.300000
Total energy: -1185.479305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.479305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.479305 (E_RNA)
where:
Base-Base interactions energy: -734.607
where: short stacking energy: -342.814
Base-Backbone interact. energy: -2.954
local terms energy: -447.918334
where:
bonds (distance) C4'-P energy: -116.169
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -120.876
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: -61.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1042.229342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.229342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.229342 (E_RNA)
where:
Base-Base interactions energy: -622.955
where: short stacking energy: -298.586
Base-Backbone interact. energy: 5.090
local terms energy: -424.364664
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -113.050
flat angles C4'-P-C4' energy: -109.085
flat angles P-C4'-P energy: -74.628
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: 1, replica: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2475.361834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.361834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.361834 (E_RNA)
where:
Base-Base interactions energy: -1723.567
where: short stacking energy: -749.075
Base-Backbone interact. energy: -4.331
local terms energy: -747.463874
where:
bonds (distance) C4'-P energy: -144.059
bonds (distance) P-C4' energy: -140.656
flat angles C4'-P-C4' energy: -154.673
flat angles P-C4'-P energy: -95.527
tors. eta vs tors. theta energy: -212.549
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: 5
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2346.617129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.617129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.617129 (E_RNA)
where:
Base-Base interactions energy: -1615.050
where: short stacking energy: -693.064
Base-Backbone interact. energy: -3.729
local terms energy: -727.837530
where:
bonds (distance) C4'-P energy: -135.456
bonds (distance) P-C4' energy: -130.227
flat angles C4'-P-C4' energy: -153.399
flat angles P-C4'-P energy: -104.344
tors. eta vs tors. theta energy: -204.411
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2205.096084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.096084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.096084 (E_RNA)
where:
Base-Base interactions energy: -1507.576
where: short stacking energy: -683.689
Base-Backbone interact. energy: -1.831
local terms energy: -695.688839
where:
bonds (distance) C4'-P energy: -132.296
bonds (distance) P-C4' energy: -124.168
flat angles C4'-P-C4' energy: -150.153
flat angles P-C4'-P energy: -97.398
tors. eta vs tors. theta energy: -191.673
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: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2154.093580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.093580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.093580 (E_RNA)
where:
Base-Base interactions energy: -1483.516
where: short stacking energy: -630.347
Base-Backbone interact. energy: -2.024
local terms energy: -668.553419
where:
bonds (distance) C4'-P energy: -121.786
bonds (distance) P-C4' energy: -132.277
flat angles C4'-P-C4' energy: -140.113
flat angles P-C4'-P energy: -87.376
tors. eta vs tors. theta energy: -187.002
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: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1949.815689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.815689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.815689 (E_RNA)
where:
Base-Base interactions energy: -1328.041
where: short stacking energy: -552.984
Base-Backbone interact. energy: 1.315
local terms energy: -623.089229
where:
bonds (distance) C4'-P energy: -116.645
bonds (distance) P-C4' energy: -126.277
flat angles C4'-P-C4' energy: -141.737
flat angles P-C4'-P energy: -96.551
tors. eta vs tors. theta energy: -141.880
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: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1818.054678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.054678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.054678 (E_RNA)
where:
Base-Base interactions energy: -1250.739
where: short stacking energy: -565.146
Base-Backbone interact. energy: 0.850
local terms energy: -568.166064
where:
bonds (distance) C4'-P energy: -107.148
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -141.244
flat angles P-C4'-P energy: -77.677
tors. eta vs tors. theta energy: -117.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1602.610193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.610193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.610193 (E_RNA)
where:
Base-Base interactions energy: -1053.673
where: short stacking energy: -458.172
Base-Backbone interact. energy: -1.889
local terms energy: -547.048791
where:
bonds (distance) C4'-P energy: -101.147
bonds (distance) P-C4' energy: -120.036
flat angles C4'-P-C4' energy: -124.650
flat angles P-C4'-P energy: -91.809
tors. eta vs tors. theta energy: -109.407
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: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1254.262202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.262202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.262202 (E_RNA)
where:
Base-Base interactions energy: -772.437
where: short stacking energy: -379.868
Base-Backbone interact. energy: 1.349
local terms energy: -483.174280
where:
bonds (distance) C4'-P energy: -123.782
bonds (distance) P-C4' energy: -109.357
flat angles C4'-P-C4' energy: -117.563
flat angles P-C4'-P energy: -66.030
tors. eta vs tors. theta energy: -66.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1204.367850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.367850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.367850 (E_RNA)
where:
Base-Base interactions energy: -752.496
where: short stacking energy: -347.748
Base-Backbone interact. energy: -3.056
local terms energy: -448.815780
where:
bonds (distance) C4'-P energy: -108.986
bonds (distance) P-C4' energy: -117.504
flat angles C4'-P-C4' energy: -117.653
flat angles P-C4'-P energy: -65.685
tors. eta vs tors. theta energy: -38.987
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: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1046.860619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.860619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.860619 (E_RNA)
where:
Base-Base interactions energy: -621.418
where: short stacking energy: -300.765
Base-Backbone interact. energy: -3.124
local terms energy: -422.318148
where:
bonds (distance) C4'-P energy: -104.513
bonds (distance) P-C4' energy: -132.586
flat angles C4'-P-C4' energy: -91.777
flat angles P-C4'-P energy: -53.780
tors. eta vs tors. theta energy: -39.663
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: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2460.527859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.527859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.527859 (E_RNA)
where:
Base-Base interactions energy: -1709.718
where: short stacking energy: -740.323
Base-Backbone interact. energy: -2.155
local terms energy: -748.655523
where:
bonds (distance) C4'-P energy: -142.349
bonds (distance) P-C4' energy: -138.140
flat angles C4'-P-C4' energy: -163.122
flat angles P-C4'-P energy: -103.922
tors. eta vs tors. theta energy: -201.122
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: 91
Temperature: 0.950000
Total energy: -2333.754236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.754236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.754236 (E_RNA)
where:
Base-Base interactions energy: -1627.079
where: short stacking energy: -705.830
Base-Backbone interact. energy: -2.521
local terms energy: -704.153392
where:
bonds (distance) C4'-P energy: -140.379
bonds (distance) P-C4' energy: -123.085
flat angles C4'-P-C4' energy: -158.715
flat angles P-C4'-P energy: -82.429
tors. eta vs tors. theta energy: -199.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2213.509728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.509728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.509728 (E_RNA)
where:
Base-Base interactions energy: -1542.611
where: short stacking energy: -680.479
Base-Backbone interact. energy: -1.922
local terms energy: -668.977511
where:
bonds (distance) C4'-P energy: -121.981
bonds (distance) P-C4' energy: -130.735
flat angles C4'-P-C4' energy: -148.012
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -177.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -2159.734651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.734651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.734651 (E_RNA)
where:
Base-Base interactions energy: -1468.905
where: short stacking energy: -648.940
Base-Backbone interact. energy: -1.109
local terms energy: -689.719703
where:
bonds (distance) C4'-P energy: -116.968
bonds (distance) P-C4' energy: -133.443
flat angles C4'-P-C4' energy: -146.907
flat angles P-C4'-P energy: -112.269
tors. eta vs tors. theta energy: -180.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1966.474834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.474834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.474834 (E_RNA)
where:
Base-Base interactions energy: -1357.998
where: short stacking energy: -564.823
Base-Backbone interact. energy: 2.177
local terms energy: -610.653581
where:
bonds (distance) C4'-P energy: -110.478
bonds (distance) P-C4' energy: -134.242
flat angles C4'-P-C4' energy: -155.206
flat angles P-C4'-P energy: -69.879
tors. eta vs tors. theta energy: -140.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1757.978391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.978391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.978391 (E_RNA)
where:
Base-Base interactions energy: -1193.356
where: short stacking energy: -491.418
Base-Backbone interact. energy: -1.936
local terms energy: -562.686521
where:
bonds (distance) C4'-P energy: -117.010
bonds (distance) P-C4' energy: -128.548
flat angles C4'-P-C4' energy: -141.088
flat angles P-C4'-P energy: -75.079
tors. eta vs tors. theta energy: -100.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1634.027869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.027869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.027869 (E_RNA)
where:
Base-Base interactions energy: -1084.208
where: short stacking energy: -456.622
Base-Backbone interact. energy: -1.905
local terms energy: -547.915261
where:
bonds (distance) C4'-P energy: -113.016
bonds (distance) P-C4' energy: -120.482
flat angles C4'-P-C4' energy: -125.847
flat angles P-C4'-P energy: -87.141
tors. eta vs tors. theta energy: -101.430
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: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1231.719313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.719313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.719313 (E_RNA)
where:
Base-Base interactions energy: -763.829
where: short stacking energy: -381.914
Base-Backbone interact. energy: -0.380
local terms energy: -467.509876
where:
bonds (distance) C4'-P energy: -109.882
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -109.420
flat angles P-C4'-P energy: -65.042
tors. eta vs tors. theta energy: -70.217
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: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1114.563259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.563259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.563259 (E_RNA)
where:
Base-Base interactions energy: -675.262
where: short stacking energy: -326.194
Base-Backbone interact. energy: 3.653
local terms energy: -442.954193
where:
bonds (distance) C4'-P energy: -108.338
bonds (distance) P-C4' energy: -107.155
flat angles C4'-P-C4' energy: -119.122
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -34.023
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: 91
Temperature: 1.350000
Total energy: -970.888064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.888064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.888064 (E_RNA)
where:
Base-Base interactions energy: -551.989
where: short stacking energy: -281.945
Base-Backbone interact. energy: 4.320
local terms energy: -423.219323
where:
bonds (distance) C4'-P energy: -105.101
bonds (distance) P-C4' energy: -117.008
flat angles C4'-P-C4' energy: -100.493
flat angles P-C4'-P energy: -71.423
tors. eta vs tors. theta energy: -29.194
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: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2468.750719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.750719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.750719 (E_RNA)
where:
Base-Base interactions energy: -1721.777
where: short stacking energy: -771.014
Base-Backbone interact. energy: -0.315
local terms energy: -746.658524
where:
bonds (distance) C4'-P energy: -140.372
bonds (distance) P-C4' energy: -136.348
flat angles C4'-P-C4' energy: -159.949
flat angles P-C4'-P energy: -97.823
tors. eta vs tors. theta energy: -212.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2333.611463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.611463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.611463 (E_RNA)
where:
Base-Base interactions energy: -1588.293
where: short stacking energy: -710.239
Base-Backbone interact. energy: -2.322
local terms energy: -742.997015
where:
bonds (distance) C4'-P energy: -136.054
bonds (distance) P-C4' energy: -139.922
flat angles C4'-P-C4' energy: -159.181
flat angles P-C4'-P energy: -112.814
tors. eta vs tors. theta energy: -195.025
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: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2226.788152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.788152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.788152 (E_RNA)
where:
Base-Base interactions energy: -1509.358
where: short stacking energy: -674.008
Base-Backbone interact. energy: -3.570
local terms energy: -713.860170
where:
bonds (distance) C4'-P energy: -123.937
bonds (distance) P-C4' energy: -145.269
flat angles C4'-P-C4' energy: -152.822
flat angles P-C4'-P energy: -106.703
tors. eta vs tors. theta energy: -185.129
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: 4, replica: 4
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2140.912053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.912053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.912053 (E_RNA)
where:
Base-Base interactions energy: -1448.445
where: short stacking energy: -640.515
Base-Backbone interact. energy: -2.432
local terms energy: -690.034708
where:
bonds (distance) C4'-P energy: -132.314
bonds (distance) P-C4' energy: -142.334
flat angles C4'-P-C4' energy: -137.731
flat angles P-C4'-P energy: -107.552
tors. eta vs tors. theta energy: -170.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1972.414389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.414389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.414389 (E_RNA)
where:
Base-Base interactions energy: -1371.357
where: short stacking energy: -568.510
Base-Backbone interact. energy: 4.067
local terms energy: -605.124289
where:
bonds (distance) C4'-P energy: -99.975
bonds (distance) P-C4' energy: -121.624
flat angles C4'-P-C4' energy: -131.789
flat angles P-C4'-P energy: -91.562
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: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1807.630347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.630347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.630347 (E_RNA)
where:
Base-Base interactions energy: -1236.753
where: short stacking energy: -552.640
Base-Backbone interact. energy: -6.004
local terms energy: -564.873794
where:
bonds (distance) C4'-P energy: -106.831
bonds (distance) P-C4' energy: -124.518
flat angles C4'-P-C4' energy: -121.111
flat angles P-C4'-P energy: -96.178
tors. eta vs tors. theta energy: -116.235
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: 2
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1744.939466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.939466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.939466 (E_RNA)
where:
Base-Base interactions energy: -1172.662
where: short stacking energy: -515.673
Base-Backbone interact. energy: 1.008
local terms energy: -573.284760
where:
bonds (distance) C4'-P energy: -109.683
bonds (distance) P-C4' energy: -135.537
flat angles C4'-P-C4' energy: -118.507
flat angles P-C4'-P energy: -89.000
tors. eta vs tors. theta energy: -120.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1315.156949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.156949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.156949 (E_RNA)
where:
Base-Base interactions energy: -820.852
where: short stacking energy: -411.425
Base-Backbone interact. energy: 0.913
local terms energy: -495.218155
where:
bonds (distance) C4'-P energy: -113.855
bonds (distance) P-C4' energy: -120.709
flat angles C4'-P-C4' energy: -105.142
flat angles P-C4'-P energy: -65.606
tors. eta vs tors. theta energy: -89.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1092.441453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.441453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.441453 (E_RNA)
where:
Base-Base interactions energy: -676.137
where: short stacking energy: -319.947
Base-Backbone interact. energy: -1.827
local terms energy: -414.478157
where:
bonds (distance) C4'-P energy: -112.731
bonds (distance) P-C4' energy: -118.608
flat angles C4'-P-C4' energy: -92.273
flat angles P-C4'-P energy: -59.941
tors. eta vs tors. theta energy: -30.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1003.979957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.979957 (E_RNA)
where:
Base-Base interactions energy: -591.824
where: short stacking energy: -286.096
Base-Backbone interact. energy: 7.387
local terms energy: -419.543364
where:
bonds (distance) C4'-P energy: -102.525
bonds (distance) P-C4' energy: -120.245
flat angles C4'-P-C4' energy: -108.216
flat angles P-C4'-P energy: -59.547
tors. eta vs tors. theta energy: -29.010
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: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2437.457690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.457690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.457690 (E_RNA)
where:
Base-Base interactions energy: -1683.176
where: short stacking energy: -722.313
Base-Backbone interact. energy: -5.051
local terms energy: -749.231286
where:
bonds (distance) C4'-P energy: -134.619
bonds (distance) P-C4' energy: -126.992
flat angles C4'-P-C4' energy: -173.000
flat angles P-C4'-P energy: -113.463
tors. eta vs tors. theta energy: -201.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2335.382381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.382381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.382381 (E_RNA)
where:
Base-Base interactions energy: -1609.543
where: short stacking energy: -728.762
Base-Backbone interact. energy: -1.560
local terms energy: -724.279388
where:
bonds (distance) C4'-P energy: -120.499
bonds (distance) P-C4' energy: -136.739
flat angles C4'-P-C4' energy: -161.424
flat angles P-C4'-P energy: -104.343
tors. eta vs tors. theta energy: -201.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2216.870391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.870391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.870391 (E_RNA)
where:
Base-Base interactions energy: -1525.931
where: short stacking energy: -673.392
Base-Backbone interact. energy: -3.853
local terms energy: -687.086880
where:
bonds (distance) C4'-P energy: -129.962
bonds (distance) P-C4' energy: -120.366
flat angles C4'-P-C4' energy: -154.775
flat angles P-C4'-P energy: -96.443
tors. eta vs tors. theta energy: -185.541
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: 4
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2110.211614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.211614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.211614 (E_RNA)
where:
Base-Base interactions energy: -1465.241
where: short stacking energy: -634.561
Base-Backbone interact. energy: -3.262
local terms energy: -641.708518
where:
bonds (distance) C4'-P energy: -123.121
bonds (distance) P-C4' energy: -128.082
flat angles C4'-P-C4' energy: -138.568
flat angles P-C4'-P energy: -92.101
tors. eta vs tors. theta energy: -159.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1982.162515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.162515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.162515 (E_RNA)
where:
Base-Base interactions energy: -1371.134
where: short stacking energy: -568.765
Base-Backbone interact. energy: -0.997
local terms energy: -610.031497
where:
bonds (distance) C4'-P energy: -116.189
bonds (distance) P-C4' energy: -117.701
flat angles C4'-P-C4' energy: -128.842
flat angles P-C4'-P energy: -81.606
tors. eta vs tors. theta energy: -165.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1783.636436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.636436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.636436 (E_RNA)
where:
Base-Base interactions energy: -1206.166
where: short stacking energy: -521.313
Base-Backbone interact. energy: 9.438
local terms energy: -586.908544
where:
bonds (distance) C4'-P energy: -118.871
bonds (distance) P-C4' energy: -132.493
flat angles C4'-P-C4' energy: -138.942
flat angles P-C4'-P energy: -62.000
tors. eta vs tors. theta energy: -134.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1768.614359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.614359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.614359 (E_RNA)
where:
Base-Base interactions energy: -1212.996
where: short stacking energy: -528.489
Base-Backbone interact. energy: 2.165
local terms energy: -557.783357
where:
bonds (distance) C4'-P energy: -113.459
bonds (distance) P-C4' energy: -107.050
flat angles C4'-P-C4' energy: -122.619
flat angles P-C4'-P energy: -82.686
tors. eta vs tors. theta energy: -131.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1330.481199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.481199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.481199 (E_RNA)
where:
Base-Base interactions energy: -835.625
where: short stacking energy: -385.616
Base-Backbone interact. energy: -1.333
local terms energy: -493.523137
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -118.769
flat angles C4'-P-C4' energy: -110.442
flat angles P-C4'-P energy: -83.318
tors. eta vs tors. theta energy: -74.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1089.954244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.954244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.954244 (E_RNA)
where:
Base-Base interactions energy: -649.657
where: short stacking energy: -326.514
Base-Backbone interact. energy: -1.967
local terms energy: -438.329700
where:
bonds (distance) C4'-P energy: -113.241
bonds (distance) P-C4' energy: -120.753
flat angles C4'-P-C4' energy: -91.266
flat angles P-C4'-P energy: -68.834
tors. eta vs tors. theta energy: -44.236
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: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1002.538290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.538290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.538290 (E_RNA)
where:
Base-Base interactions energy: -628.670
where: short stacking energy: -308.168
Base-Backbone interact. energy: 1.958
local terms energy: -375.827057
where:
bonds (distance) C4'-P energy: -99.025
bonds (distance) P-C4' energy: -109.680
flat angles C4'-P-C4' energy: -83.629
flat angles P-C4'-P energy: -59.882
tors. eta vs tors. theta energy: -23.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2479.015710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.015710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.015710 (E_RNA)
where:
Base-Base interactions energy: -1724.942
where: short stacking energy: -762.456
Base-Backbone interact. energy: -2.523
local terms energy: -751.550641
where:
bonds (distance) C4'-P energy: -125.154
bonds (distance) P-C4' energy: -149.499
flat angles C4'-P-C4' energy: -164.816
flat angles P-C4'-P energy: -105.148
tors. eta vs tors. theta energy: -206.934
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: 94
Temperature: 0.950000
Total energy: -2337.874008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.874008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.874008 (E_RNA)
where:
Base-Base interactions energy: -1605.163
where: short stacking energy: -709.578
Base-Backbone interact. energy: -0.682
local terms energy: -732.029593
where:
bonds (distance) C4'-P energy: -133.098
bonds (distance) P-C4' energy: -135.428
flat angles C4'-P-C4' energy: -162.643
flat angles P-C4'-P energy: -98.282
tors. eta vs tors. theta energy: -202.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2214.397281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.397281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.397281 (E_RNA)
where:
Base-Base interactions energy: -1522.122
where: short stacking energy: -681.224
Base-Backbone interact. energy: 0.878
local terms energy: -693.153459
where:
bonds (distance) C4'-P energy: -133.563
bonds (distance) P-C4' energy: -131.800
flat angles C4'-P-C4' energy: -142.017
flat angles P-C4'-P energy: -102.277
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: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2145.028888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.028888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.028888 (E_RNA)
where:
Base-Base interactions energy: -1463.603
where: short stacking energy: -638.052
Base-Backbone interact. energy: -2.753
local terms energy: -678.672919
where:
bonds (distance) C4'-P energy: -122.248
bonds (distance) P-C4' energy: -125.980
flat angles C4'-P-C4' energy: -154.940
flat angles P-C4'-P energy: -88.949
tors. eta vs tors. theta energy: -186.556
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: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1819.804389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.804389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.804389 (E_RNA)
where:
Base-Base interactions energy: -1217.096
where: short stacking energy: -536.041
Base-Backbone interact. energy: 4.607
local terms energy: -607.315043
where:
bonds (distance) C4'-P energy: -115.200
bonds (distance) P-C4' energy: -121.717
flat angles C4'-P-C4' energy: -147.687
flat angles P-C4'-P energy: -86.054
tors. eta vs tors. theta energy: -136.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1881.022112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.022112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.022112 (E_RNA)
where:
Base-Base interactions energy: -1262.609
where: short stacking energy: -569.243
Base-Backbone interact. energy: -0.045
local terms energy: -618.367540
where:
bonds (distance) C4'-P energy: -109.368
bonds (distance) P-C4' energy: -133.697
flat angles C4'-P-C4' energy: -137.287
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -154.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1787.221170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.221170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.221170 (E_RNA)
where:
Base-Base interactions energy: -1220.689
where: short stacking energy: -541.524
Base-Backbone interact. energy: -4.216
local terms energy: -562.315808
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -123.672
flat angles C4'-P-C4' energy: -122.562
flat angles P-C4'-P energy: -75.881
tors. eta vs tors. theta energy: -129.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1377.584578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.584578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.584578 (E_RNA)
where:
Base-Base interactions energy: -872.391
where: short stacking energy: -386.743
Base-Backbone interact. energy: -0.433
local terms energy: -504.760893
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -128.782
flat angles C4'-P-C4' energy: -118.778
flat angles P-C4'-P energy: -73.802
tors. eta vs tors. theta energy: -77.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1160.920764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.920764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.920764 (E_RNA)
where:
Base-Base interactions energy: -735.111
where: short stacking energy: -332.142
Base-Backbone interact. energy: -3.189
local terms energy: -422.620146
where:
bonds (distance) C4'-P energy: -92.798
bonds (distance) P-C4' energy: -120.048
flat angles C4'-P-C4' energy: -99.776
flat angles P-C4'-P energy: -56.699
tors. eta vs tors. theta energy: -53.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1068.128296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.128296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.128296 (E_RNA)
where:
Base-Base interactions energy: -645.365
where: short stacking energy: -327.969
Base-Backbone interact. energy: 5.407
local terms energy: -428.169570
where:
bonds (distance) C4'-P energy: -80.695
bonds (distance) P-C4' energy: -131.210
flat angles C4'-P-C4' energy: -110.844
flat angles P-C4'-P energy: -70.397
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: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2453.964811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.964811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.964811 (E_RNA)
where:
Base-Base interactions energy: -1695.866
where: short stacking energy: -750.680
Base-Backbone interact. energy: -2.198
local terms energy: -755.901032
where:
bonds (distance) C4'-P energy: -147.272
bonds (distance) P-C4' energy: -139.591
flat angles C4'-P-C4' energy: -158.731
flat angles P-C4'-P energy: -99.374
tors. eta vs tors. theta energy: -210.932
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: 2, replica: 5
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2333.441836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.441836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.441836 (E_RNA)
where:
Base-Base interactions energy: -1587.452
where: short stacking energy: -700.405
Base-Backbone interact. energy: 0.460
local terms energy: -746.449600
where:
bonds (distance) C4'-P energy: -128.016
bonds (distance) P-C4' energy: -151.528
flat angles C4'-P-C4' energy: -162.702
flat angles P-C4'-P energy: -102.539
tors. eta vs tors. theta energy: -201.665
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: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2201.856166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.856166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.856166 (E_RNA)
where:
Base-Base interactions energy: -1518.156
where: short stacking energy: -661.875
Base-Backbone interact. energy: 0.427
local terms energy: -684.127612
where:
bonds (distance) C4'-P energy: -136.008
bonds (distance) P-C4' energy: -121.371
flat angles C4'-P-C4' energy: -153.888
flat angles P-C4'-P energy: -92.501
tors. eta vs tors. theta energy: -180.360
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2127.834525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.834525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.834525 (E_RNA)
where:
Base-Base interactions energy: -1453.831
where: short stacking energy: -634.045
Base-Backbone interact. energy: -1.659
local terms energy: -672.344182
where:
bonds (distance) C4'-P energy: -109.691
bonds (distance) P-C4' energy: -145.216
flat angles C4'-P-C4' energy: -150.845
flat angles P-C4'-P energy: -107.073
tors. eta vs tors. theta energy: -159.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1898.579680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.579680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.579680 (E_RNA)
where:
Base-Base interactions energy: -1289.320
where: short stacking energy: -564.916
Base-Backbone interact. energy: -2.400
local terms energy: -606.860021
where:
bonds (distance) C4'-P energy: -126.566
bonds (distance) P-C4' energy: -128.601
flat angles C4'-P-C4' energy: -121.146
flat angles P-C4'-P energy: -94.724
tors. eta vs tors. theta energy: -135.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1853.190669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.190669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.190669 (E_RNA)
where:
Base-Base interactions energy: -1208.525
where: short stacking energy: -545.249
Base-Backbone interact. energy: 0.112
local terms energy: -644.777471
where:
bonds (distance) C4'-P energy: -128.152
bonds (distance) P-C4' energy: -137.491
flat angles C4'-P-C4' energy: -153.446
flat angles P-C4'-P energy: -87.778
tors. eta vs tors. theta energy: -137.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1760.141866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.141866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.141866 (E_RNA)
where:
Base-Base interactions energy: -1160.979
where: short stacking energy: -535.717
Base-Backbone interact. energy: -2.672
local terms energy: -596.490392
where:
bonds (distance) C4'-P energy: -118.807
bonds (distance) P-C4' energy: -111.554
flat angles C4'-P-C4' energy: -142.287
flat angles P-C4'-P energy: -92.845
tors. eta vs tors. theta energy: -130.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1497.048772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.048772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.048772 (E_RNA)
where:
Base-Base interactions energy: -995.895
where: short stacking energy: -457.125
Base-Backbone interact. energy: 7.135
local terms energy: -508.289304
where:
bonds (distance) C4'-P energy: -109.019
bonds (distance) P-C4' energy: -115.853
flat angles C4'-P-C4' energy: -114.138
flat angles P-C4'-P energy: -74.425
tors. eta vs tors. theta energy: -94.854
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: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1144.646267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.646267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.646267 (E_RNA)
where:
Base-Base interactions energy: -688.571
where: short stacking energy: -332.466
Base-Backbone interact. energy: 3.767
local terms energy: -459.842341
where:
bonds (distance) C4'-P energy: -125.408
bonds (distance) P-C4' energy: -126.773
flat angles C4'-P-C4' energy: -106.738
flat angles P-C4'-P energy: -55.742
tors. eta vs tors. theta energy: -45.181
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: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -994.746395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.746395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.746395 (E_RNA)
where:
Base-Base interactions energy: -571.162
where: short stacking energy: -296.989
Base-Backbone interact. energy: -0.850
local terms energy: -422.734596
where:
bonds (distance) C4'-P energy: -122.778
bonds (distance) P-C4' energy: -114.129
flat angles C4'-P-C4' energy: -97.412
flat angles P-C4'-P energy: -46.576
tors. eta vs tors. theta energy: -41.839
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: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2464.819561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.819561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.819561 (E_RNA)
where:
Base-Base interactions energy: -1698.386
where: short stacking energy: -761.398
Base-Backbone interact. energy: -5.444
local terms energy: -760.990028
where:
bonds (distance) C4'-P energy: -142.690
bonds (distance) P-C4' energy: -136.680
flat angles C4'-P-C4' energy: -160.213
flat angles P-C4'-P energy: -107.637
tors. eta vs tors. theta energy: -213.769
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: 5
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2362.424188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.424188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.424188 (E_RNA)
where:
Base-Base interactions energy: -1631.883
where: short stacking energy: -726.346
Base-Backbone interact. energy: -0.993
local terms energy: -729.548175
where:
bonds (distance) C4'-P energy: -136.013
bonds (distance) P-C4' energy: -131.036
flat angles C4'-P-C4' energy: -152.609
flat angles P-C4'-P energy: -93.390
tors. eta vs tors. theta energy: -216.501
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: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2226.876869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.876869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.876869 (E_RNA)
where:
Base-Base interactions energy: -1559.531
where: short stacking energy: -670.900
Base-Backbone interact. energy: 3.134
local terms energy: -670.480023
where:
bonds (distance) C4'-P energy: -127.191
bonds (distance) P-C4' energy: -112.578
flat angles C4'-P-C4' energy: -151.081
flat angles P-C4'-P energy: -93.721
tors. eta vs tors. theta energy: -185.910
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: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2123.170593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.170593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.170593 (E_RNA)
where:
Base-Base interactions energy: -1457.394
where: short stacking energy: -617.729
Base-Backbone interact. energy: -1.107
local terms energy: -664.669026
where:
bonds (distance) C4'-P energy: -120.682
bonds (distance) P-C4' energy: -128.729
flat angles C4'-P-C4' energy: -141.398
flat angles P-C4'-P energy: -105.588
tors. eta vs tors. theta energy: -168.272
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: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1945.303304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.303304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.303304 (E_RNA)
where:
Base-Base interactions energy: -1327.917
where: short stacking energy: -575.219
Base-Backbone interact. energy: -2.541
local terms energy: -614.845853
where:
bonds (distance) C4'-P energy: -113.042
bonds (distance) P-C4' energy: -119.162
flat angles C4'-P-C4' energy: -142.793
flat angles P-C4'-P energy: -87.151
tors. eta vs tors. theta energy: -152.697
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: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1853.218060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.218060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.218060 (E_RNA)
where:
Base-Base interactions energy: -1241.239
where: short stacking energy: -594.874
Base-Backbone interact. energy: -2.317
local terms energy: -609.662311
where:
bonds (distance) C4'-P energy: -125.078
bonds (distance) P-C4' energy: -114.850
flat angles C4'-P-C4' energy: -139.975
flat angles P-C4'-P energy: -82.612
tors. eta vs tors. theta energy: -147.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1813.096611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.096611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.096611 (E_RNA)
where:
Base-Base interactions energy: -1256.106
where: short stacking energy: -553.514
Base-Backbone interact. energy: -0.455
local terms energy: -556.535897
where:
bonds (distance) C4'-P energy: -126.047
bonds (distance) P-C4' energy: -114.730
flat angles C4'-P-C4' energy: -108.233
flat angles P-C4'-P energy: -74.373
tors. eta vs tors. theta energy: -133.153
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1529.220992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.220992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.220992 (E_RNA)
where:
Base-Base interactions energy: -1023.496
where: short stacking energy: -423.433
Base-Backbone interact. energy: 2.604
local terms energy: -508.328797
where:
bonds (distance) C4'-P energy: -109.592
bonds (distance) P-C4' energy: -122.964
flat angles C4'-P-C4' energy: -108.559
flat angles P-C4'-P energy: -77.580
tors. eta vs tors. theta energy: -89.633
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: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1188.877007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.877007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.877007 (E_RNA)
where:
Base-Base interactions energy: -745.942
where: short stacking energy: -341.384
Base-Backbone interact. energy: -0.905
local terms energy: -442.029604
where:
bonds (distance) C4'-P energy: -111.397
bonds (distance) P-C4' energy: -126.521
flat angles C4'-P-C4' energy: -107.787
flat angles P-C4'-P energy: -53.851
tors. eta vs tors. theta energy: -42.474
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: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -957.322717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.322717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.322717 (E_RNA)
where:
Base-Base interactions energy: -577.882
where: short stacking energy: -253.952
Base-Backbone interact. energy: 1.076
local terms energy: -380.516399
where:
bonds (distance) C4'-P energy: -94.292
bonds (distance) P-C4' energy: -92.943
flat angles C4'-P-C4' energy: -108.497
flat angles P-C4'-P energy: -72.832
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2461.539187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.539187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.539187 (E_RNA)
where:
Base-Base interactions energy: -1694.896
where: short stacking energy: -753.079
Base-Backbone interact. energy: -1.365
local terms energy: -765.278457
where:
bonds (distance) C4'-P energy: -145.535
bonds (distance) P-C4' energy: -142.551
flat angles C4'-P-C4' energy: -156.467
flat angles P-C4'-P energy: -111.761
tors. eta vs tors. theta energy: -208.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2358.794043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.794043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.794043 (E_RNA)
where:
Base-Base interactions energy: -1636.506
where: short stacking energy: -713.846
Base-Backbone interact. energy: 1.216
local terms energy: -723.504383
where:
bonds (distance) C4'-P energy: -120.771
bonds (distance) P-C4' energy: -131.966
flat angles C4'-P-C4' energy: -156.291
flat angles P-C4'-P energy: -101.193
tors. eta vs tors. theta energy: -213.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2259.117954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.117954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.117954 (E_RNA)
where:
Base-Base interactions energy: -1564.920
where: short stacking energy: -663.020
Base-Backbone interact. energy: -2.766
local terms energy: -691.431766
where:
bonds (distance) C4'-P energy: -136.658
bonds (distance) P-C4' energy: -130.222
flat angles C4'-P-C4' energy: -138.011
flat angles P-C4'-P energy: -92.741
tors. eta vs tors. theta energy: -193.800
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: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2170.815502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.815502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.815502 (E_RNA)
where:
Base-Base interactions energy: -1476.905
where: short stacking energy: -648.165
Base-Backbone interact. energy: 1.763
local terms energy: -695.673040
where:
bonds (distance) C4'-P energy: -119.890
bonds (distance) P-C4' energy: -144.795
flat angles C4'-P-C4' energy: -152.228
flat angles P-C4'-P energy: -95.965
tors. eta vs tors. theta energy: -182.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1978.285269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.285269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.285269 (E_RNA)
where:
Base-Base interactions energy: -1356.630
where: short stacking energy: -591.842
Base-Backbone interact. energy: -0.111
local terms energy: -621.544348
where:
bonds (distance) C4'-P energy: -127.872
bonds (distance) P-C4' energy: -105.032
flat angles C4'-P-C4' energy: -140.320
flat angles P-C4'-P energy: -95.789
tors. eta vs tors. theta energy: -152.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1878.526690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.526690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.526690 (E_RNA)
where:
Base-Base interactions energy: -1293.799
where: short stacking energy: -585.460
Base-Backbone interact. energy: -1.011
local terms energy: -583.716928
where:
bonds (distance) C4'-P energy: -121.612
bonds (distance) P-C4' energy: -105.081
flat angles C4'-P-C4' energy: -129.785
flat angles P-C4'-P energy: -81.248
tors. eta vs tors. theta energy: -145.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1720.589838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.589838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.589838 (E_RNA)
where:
Base-Base interactions energy: -1155.664
where: short stacking energy: -505.702
Base-Backbone interact. energy: -3.970
local terms energy: -560.955505
where:
bonds (distance) C4'-P energy: -117.141
bonds (distance) P-C4' energy: -131.905
flat angles C4'-P-C4' energy: -132.749
flat angles P-C4'-P energy: -62.067
tors. eta vs tors. theta energy: -117.094
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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1493.319767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.319767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.319767 (E_RNA)
where:
Base-Base interactions energy: -989.266
where: short stacking energy: -429.763
Base-Backbone interact. energy: -3.532
local terms energy: -500.521307
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -114.395
flat angles C4'-P-C4' energy: -99.931
flat angles P-C4'-P energy: -82.440
tors. eta vs tors. theta energy: -90.035
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: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1214.526878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.526878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.526878 (E_RNA)
where:
Base-Base interactions energy: -764.272
where: short stacking energy: -342.207
Base-Backbone interact. energy: -1.773
local terms energy: -448.481726
where:
bonds (distance) C4'-P energy: -120.447
bonds (distance) P-C4' energy: -122.146
flat angles C4'-P-C4' energy: -96.559
flat angles P-C4'-P energy: -74.228
tors. eta vs tors. theta energy: -35.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -969.127029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.127029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.127029 (E_RNA)
where:
Base-Base interactions energy: -562.867
where: short stacking energy: -279.698
Base-Backbone interact. energy: 6.026
local terms energy: -412.286031
where:
bonds (distance) C4'-P energy: -123.198
bonds (distance) P-C4' energy: -110.865
flat angles C4'-P-C4' energy: -106.113
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2453.978134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.978134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.978134 (E_RNA)
where:
Base-Base interactions energy: -1715.831
where: short stacking energy: -758.727
Base-Backbone interact. energy: -3.739
local terms energy: -734.408390
where:
bonds (distance) C4'-P energy: -134.047
bonds (distance) P-C4' energy: -145.825
flat angles C4'-P-C4' energy: -152.433
flat angles P-C4'-P energy: -95.354
tors. eta vs tors. theta energy: -206.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2336.943655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.943655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.943655 (E_RNA)
where:
Base-Base interactions energy: -1614.065
where: short stacking energy: -720.589
Base-Backbone interact. energy: -1.254
local terms energy: -721.624674
where:
bonds (distance) C4'-P energy: -137.764
bonds (distance) P-C4' energy: -137.422
flat angles C4'-P-C4' energy: -148.919
flat angles P-C4'-P energy: -95.542
tors. eta vs tors. theta energy: -201.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2226.207182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.207182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.207182 (E_RNA)
where:
Base-Base interactions energy: -1564.355
where: short stacking energy: -686.393
Base-Backbone interact. energy: -1.373
local terms energy: -660.478968
where:
bonds (distance) C4'-P energy: -117.271
bonds (distance) P-C4' energy: -117.473
flat angles C4'-P-C4' energy: -144.990
flat angles P-C4'-P energy: -102.291
tors. eta vs tors. theta energy: -178.454
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: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2162.689124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.689124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.689124 (E_RNA)
where:
Base-Base interactions energy: -1486.048
where: short stacking energy: -630.755
Base-Backbone interact. energy: -3.883
local terms energy: -672.758000
where:
bonds (distance) C4'-P energy: -123.842
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -152.182
flat angles P-C4'-P energy: -95.728
tors. eta vs tors. theta energy: -165.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -2013.464101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.464101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.464101 (E_RNA)
where:
Base-Base interactions energy: -1349.461
where: short stacking energy: -597.822
Base-Backbone interact. energy: -2.027
local terms energy: -661.975750
where:
bonds (distance) C4'-P energy: -131.818
bonds (distance) P-C4' energy: -138.704
flat angles C4'-P-C4' energy: -137.931
flat angles P-C4'-P energy: -93.279
tors. eta vs tors. theta energy: -160.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1906.038070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.038070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.038070 (E_RNA)
where:
Base-Base interactions energy: -1313.446
where: short stacking energy: -570.975
Base-Backbone interact. energy: -2.610
local terms energy: -589.982142
where:
bonds (distance) C4'-P energy: -104.575
bonds (distance) P-C4' energy: -115.848
flat angles C4'-P-C4' energy: -120.252
flat angles P-C4'-P energy: -83.463
tors. eta vs tors. theta energy: -165.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1729.953286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.953286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.953286 (E_RNA)
where:
Base-Base interactions energy: -1174.106
where: short stacking energy: -511.402
Base-Backbone interact. energy: -0.804
local terms energy: -555.043439
where:
bonds (distance) C4'-P energy: -105.886
bonds (distance) P-C4' energy: -122.596
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -117.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1469.821297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.821297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.821297 (E_RNA)
where:
Base-Base interactions energy: -964.668
where: short stacking energy: -418.827
Base-Backbone interact. energy: 0.831
local terms energy: -505.984504
where:
bonds (distance) C4'-P energy: -124.805
bonds (distance) P-C4' energy: -132.644
flat angles C4'-P-C4' energy: -103.315
flat angles P-C4'-P energy: -66.825
tors. eta vs tors. theta energy: -78.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1213.546148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.546148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.546148 (E_RNA)
where:
Base-Base interactions energy: -755.049
where: short stacking energy: -330.219
Base-Backbone interact. energy: -0.067
local terms energy: -458.430619
where:
bonds (distance) C4'-P energy: -119.588
bonds (distance) P-C4' energy: -119.294
flat angles C4'-P-C4' energy: -100.124
flat angles P-C4'-P energy: -68.187
tors. eta vs tors. theta energy: -51.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1001.009595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.009595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.009595 (E_RNA)
where:
Base-Base interactions energy: -612.910
where: short stacking energy: -314.368
Base-Backbone interact. energy: 1.753
local terms energy: -389.851657
where:
bonds (distance) C4'-P energy: -95.543
bonds (distance) P-C4' energy: -116.518
flat angles C4'-P-C4' energy: -84.846
flat angles P-C4'-P energy: -58.500
tors. eta vs tors. theta energy: -34.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2449.967158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.967158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.967158 (E_RNA)
where:
Base-Base interactions energy: -1697.006
where: short stacking energy: -745.062
Base-Backbone interact. energy: -1.036
local terms energy: -751.925557
where:
bonds (distance) C4'-P energy: -123.519
bonds (distance) P-C4' energy: -152.368
flat angles C4'-P-C4' energy: -157.569
flat angles P-C4'-P energy: -116.197
tors. eta vs tors. theta energy: -202.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2356.018109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.018109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.018109 (E_RNA)
where:
Base-Base interactions energy: -1627.344
where: short stacking energy: -728.042
Base-Backbone interact. energy: -1.686
local terms energy: -726.988158
where:
bonds (distance) C4'-P energy: -133.737
bonds (distance) P-C4' energy: -124.550
flat angles C4'-P-C4' energy: -155.269
flat angles P-C4'-P energy: -112.696
tors. eta vs tors. theta energy: -200.736
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: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2246.201163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.201163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.201163 (E_RNA)
where:
Base-Base interactions energy: -1549.682
where: short stacking energy: -700.272
Base-Backbone interact. energy: -2.731
local terms energy: -693.787691
where:
bonds (distance) C4'-P energy: -123.382
bonds (distance) P-C4' energy: -131.361
flat angles C4'-P-C4' energy: -145.614
flat angles P-C4'-P energy: -101.508
tors. eta vs tors. theta energy: -191.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2185.808805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.808805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.808805 (E_RNA)
where:
Base-Base interactions energy: -1518.961
where: short stacking energy: -660.929
Base-Backbone interact. energy: -1.674
local terms energy: -665.174200
where:
bonds (distance) C4'-P energy: -114.275
bonds (distance) P-C4' energy: -125.999
flat angles C4'-P-C4' energy: -151.927
flat angles P-C4'-P energy: -102.254
tors. eta vs tors. theta energy: -170.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1971.064618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.064618 (E_RNA)
where:
Base-Base interactions energy: -1352.833
where: short stacking energy: -586.405
Base-Backbone interact. energy: -1.290
local terms energy: -616.941551
where:
bonds (distance) C4'-P energy: -115.434
bonds (distance) P-C4' energy: -134.014
flat angles C4'-P-C4' energy: -126.070
flat angles P-C4'-P energy: -84.323
tors. eta vs tors. theta energy: -157.099
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: 9
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1799.747597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.747597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.747597 (E_RNA)
where:
Base-Base interactions energy: -1237.065
where: short stacking energy: -533.636
Base-Backbone interact. energy: -3.408
local terms energy: -559.274127
where:
bonds (distance) C4'-P energy: -113.626
bonds (distance) P-C4' energy: -112.661
flat angles C4'-P-C4' energy: -130.602
flat angles P-C4'-P energy: -87.381
tors. eta vs tors. theta energy: -115.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1806.828403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.828403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.828403 (E_RNA)
where:
Base-Base interactions energy: -1287.849
where: short stacking energy: -529.244
Base-Backbone interact. energy: 1.106
local terms energy: -520.085300
where:
bonds (distance) C4'-P energy: -99.716
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -128.864
flat angles P-C4'-P energy: -70.713
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1494.816668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.816668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.816668 (E_RNA)
where:
Base-Base interactions energy: -983.074
where: short stacking energy: -444.694
Base-Backbone interact. energy: -2.083
local terms energy: -509.660208
where:
bonds (distance) C4'-P energy: -111.803
bonds (distance) P-C4' energy: -110.702
flat angles C4'-P-C4' energy: -112.913
flat angles P-C4'-P energy: -70.989
tors. eta vs tors. theta energy: -103.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1237.222200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.222200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.222200 (E_RNA)
where:
Base-Base interactions energy: -768.752
where: short stacking energy: -340.475
Base-Backbone interact. energy: -1.141
local terms energy: -467.329072
where:
bonds (distance) C4'-P energy: -115.932
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -114.038
flat angles P-C4'-P energy: -82.406
tors. eta vs tors. theta energy: -48.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1027.652369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.652369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.652369 (E_RNA)
where:
Base-Base interactions energy: -650.442
where: short stacking energy: -305.835
Base-Backbone interact. energy: 5.880
local terms energy: -383.090268
where:
bonds (distance) C4'-P energy: -93.710
bonds (distance) P-C4' energy: -121.441
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -58.517
tors. eta vs tors. theta energy: -19.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2463.410471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.410471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.410471 (E_RNA)
where:
Base-Base interactions energy: -1728.696
where: short stacking energy: -758.707
Base-Backbone interact. energy: -3.621
local terms energy: -731.093706
where:
bonds (distance) C4'-P energy: -142.757
bonds (distance) P-C4' energy: -130.021
flat angles C4'-P-C4' energy: -157.237
flat angles P-C4'-P energy: -99.343
tors. eta vs tors. theta energy: -201.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2350.862360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.862360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.862360 (E_RNA)
where:
Base-Base interactions energy: -1628.458
where: short stacking energy: -724.281
Base-Backbone interact. energy: 1.864
local terms energy: -724.268274
where:
bonds (distance) C4'-P energy: -126.828
bonds (distance) P-C4' energy: -137.838
flat angles C4'-P-C4' energy: -151.431
flat angles P-C4'-P energy: -109.461
tors. eta vs tors. theta energy: -198.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2231.710543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.710543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.710543 (E_RNA)
where:
Base-Base interactions energy: -1543.989
where: short stacking energy: -672.475
Base-Backbone interact. energy: -2.684
local terms energy: -685.038368
where:
bonds (distance) C4'-P energy: -129.149
bonds (distance) P-C4' energy: -118.234
flat angles C4'-P-C4' energy: -155.872
flat angles P-C4'-P energy: -101.292
tors. eta vs tors. theta energy: -180.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2138.576133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.576133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.576133 (E_RNA)
where:
Base-Base interactions energy: -1495.181
where: short stacking energy: -648.730
Base-Backbone interact. energy: 0.611
local terms energy: -644.006322
where:
bonds (distance) C4'-P energy: -129.916
bonds (distance) P-C4' energy: -114.740
flat angles C4'-P-C4' energy: -148.245
flat angles P-C4'-P energy: -89.965
tors. eta vs tors. theta energy: -161.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -2017.296893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.296893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.296893 (E_RNA)
where:
Base-Base interactions energy: -1370.948
where: short stacking energy: -598.834
Base-Backbone interact. energy: -4.490
local terms energy: -641.858530
where:
bonds (distance) C4'-P energy: -122.844
bonds (distance) P-C4' energy: -137.478
flat angles C4'-P-C4' energy: -138.445
flat angles P-C4'-P energy: -95.769
tors. eta vs tors. theta energy: -147.322
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: 6, replica: 9
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1808.103093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.103093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.103093 (E_RNA)
where:
Base-Base interactions energy: -1241.354
where: short stacking energy: -530.590
Base-Backbone interact. energy: -4.739
local terms energy: -562.010861
where:
bonds (distance) C4'-P energy: -116.467
bonds (distance) P-C4' energy: -111.325
flat angles C4'-P-C4' energy: -122.565
flat angles P-C4'-P energy: -87.759
tors. eta vs tors. theta energy: -123.895
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: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1809.009488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.009488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.009488 (E_RNA)
where:
Base-Base interactions energy: -1270.878
where: short stacking energy: -552.251
Base-Backbone interact. energy: -0.721
local terms energy: -537.410156
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -106.117
flat angles C4'-P-C4' energy: -114.698
flat angles P-C4'-P energy: -83.007
tors. eta vs tors. theta energy: -133.224
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: 100
Temperature: 1.250000
Total energy: -1499.494464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.494464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.494464 (E_RNA)
where:
Base-Base interactions energy: -971.563
where: short stacking energy: -463.968
Base-Backbone interact. energy: 5.421
local terms energy: -533.352251
where:
bonds (distance) C4'-P energy: -125.040
bonds (distance) P-C4' energy: -118.851
flat angles C4'-P-C4' energy: -126.563
flat angles P-C4'-P energy: -76.972
tors. eta vs tors. theta energy: -85.927
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: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1242.787142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.787142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.787142 (E_RNA)
where:
Base-Base interactions energy: -798.307
where: short stacking energy: -371.541
Base-Backbone interact. energy: 2.005
local terms energy: -446.485175
where:
bonds (distance) C4'-P energy: -96.935
bonds (distance) P-C4' energy: -110.947
flat angles C4'-P-C4' energy: -104.348
flat angles P-C4'-P energy: -72.686
tors. eta vs tors. theta energy: -61.569
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1011.682070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.682070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.682070 (E_RNA)
where:
Base-Base interactions energy: -602.590
where: short stacking energy: -307.465
Base-Backbone interact. energy: -1.895
local terms energy: -407.197820
where:
bonds (distance) C4'-P energy: -98.514
bonds (distance) P-C4' energy: -103.994
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -38.506
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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2459.732644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.732644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.732644 (E_RNA)
where:
Base-Base interactions energy: -1725.091
where: short stacking energy: -763.197
Base-Backbone interact. energy: 6.041
local terms energy: -740.682238
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -155.561
flat angles P-C4'-P energy: -113.954
tors. eta vs tors. theta energy: -201.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2351.264728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.264728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.264728 (E_RNA)
where:
Base-Base interactions energy: -1601.602
where: short stacking energy: -728.756
Base-Backbone interact. energy: -1.288
local terms energy: -748.374903
where:
bonds (distance) C4'-P energy: -126.329
bonds (distance) P-C4' energy: -143.828
flat angles C4'-P-C4' energy: -160.499
flat angles P-C4'-P energy: -103.965
tors. eta vs tors. theta energy: -213.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2275.192082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.192082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.192082 (E_RNA)
where:
Base-Base interactions energy: -1587.173
where: short stacking energy: -693.418
Base-Backbone interact. energy: -2.440
local terms energy: -685.578677
where:
bonds (distance) C4'-P energy: -121.595
bonds (distance) P-C4' energy: -127.663
flat angles C4'-P-C4' energy: -153.557
flat angles P-C4'-P energy: -99.086
tors. eta vs tors. theta energy: -183.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2176.894330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.894330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.894330 (E_RNA)
where:
Base-Base interactions energy: -1479.996
where: short stacking energy: -655.587
Base-Backbone interact. energy: -1.426
local terms energy: -695.472431
where:
bonds (distance) C4'-P energy: -140.699
bonds (distance) P-C4' energy: -129.480
flat angles C4'-P-C4' energy: -138.226
flat angles P-C4'-P energy: -108.431
tors. eta vs tors. theta energy: -178.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -2019.878137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.878137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.878137 (E_RNA)
where:
Base-Base interactions energy: -1388.670
where: short stacking energy: -636.006
Base-Backbone interact. energy: -0.053
local terms energy: -631.154918
where:
bonds (distance) C4'-P energy: -115.034
bonds (distance) P-C4' energy: -125.297
flat angles C4'-P-C4' energy: -139.930
flat angles P-C4'-P energy: -78.453
tors. eta vs tors. theta energy: -172.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1804.974569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.974569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.974569 (E_RNA)
where:
Base-Base interactions energy: -1216.051
where: short stacking energy: -537.168
Base-Backbone interact. energy: -3.848
local terms energy: -585.075065
where:
bonds (distance) C4'-P energy: -122.181
bonds (distance) P-C4' energy: -119.638
flat angles C4'-P-C4' energy: -137.161
flat angles P-C4'-P energy: -83.580
tors. eta vs tors. theta energy: -122.516
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: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1777.433565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.433565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.433565 (E_RNA)
where:
Base-Base interactions energy: -1214.697
where: short stacking energy: -483.145
Base-Backbone interact. energy: -5.275
local terms energy: -557.461360
where:
bonds (distance) C4'-P energy: -113.847
bonds (distance) P-C4' energy: -126.363
flat angles C4'-P-C4' energy: -132.228
flat angles P-C4'-P energy: -69.596
tors. eta vs tors. theta energy: -115.427
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: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1411.125090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.125090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.125090 (E_RNA)
where:
Base-Base interactions energy: -930.047
where: short stacking energy: -424.107
Base-Backbone interact. energy: 0.809
local terms energy: -481.887639
where:
bonds (distance) C4'-P energy: -104.355
bonds (distance) P-C4' energy: -119.195
flat angles C4'-P-C4' energy: -119.889
flat angles P-C4'-P energy: -60.729
tors. eta vs tors. theta energy: -77.720
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: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1253.696131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.696131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.696131 (E_RNA)
where:
Base-Base interactions energy: -816.244
where: short stacking energy: -383.653
Base-Backbone interact. energy: 1.602
local terms energy: -439.054343
where:
bonds (distance) C4'-P energy: -115.151
bonds (distance) P-C4' energy: -108.699
flat angles C4'-P-C4' energy: -90.160
flat angles P-C4'-P energy: -58.236
tors. eta vs tors. theta energy: -66.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -984.545784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.545784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.545784 (E_RNA)
where:
Base-Base interactions energy: -604.597
where: short stacking energy: -276.608
Base-Backbone interact. energy: 2.280
local terms energy: -382.228368
where:
bonds (distance) C4'-P energy: -121.131
bonds (distance) P-C4' energy: -114.685
flat angles C4'-P-C4' energy: -86.599
flat angles P-C4'-P energy: -52.318
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2459.164536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.164536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.164536 (E_RNA)
where:
Base-Base interactions energy: -1707.656
where: short stacking energy: -717.627
Base-Backbone interact. energy: -0.968
local terms energy: -750.540560
where:
bonds (distance) C4'-P energy: -135.634
bonds (distance) P-C4' energy: -145.835
flat angles C4'-P-C4' energy: -165.807
flat angles P-C4'-P energy: -107.867
tors. eta vs tors. theta energy: -195.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2355.723893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.723893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.723893 (E_RNA)
where:
Base-Base interactions energy: -1617.150
where: short stacking energy: -692.482
Base-Backbone interact. energy: -3.279
local terms energy: -735.295431
where:
bonds (distance) C4'-P energy: -138.660
bonds (distance) P-C4' energy: -146.959
flat angles C4'-P-C4' energy: -150.121
flat angles P-C4'-P energy: -97.521
tors. eta vs tors. theta energy: -202.035
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: 10
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2264.536854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.536854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.536854 (E_RNA)
where:
Base-Base interactions energy: -1576.819
where: short stacking energy: -673.676
Base-Backbone interact. energy: -3.286
local terms energy: -684.432236
where:
bonds (distance) C4'-P energy: -133.071
bonds (distance) P-C4' energy: -137.539
flat angles C4'-P-C4' energy: -141.737
flat angles P-C4'-P energy: -80.801
tors. eta vs tors. theta energy: -191.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2151.976122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.976122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.976122 (E_RNA)
where:
Base-Base interactions energy: -1489.137
where: short stacking energy: -640.780
Base-Backbone interact. energy: 0.990
local terms energy: -663.829493
where:
bonds (distance) C4'-P energy: -134.931
bonds (distance) P-C4' energy: -110.675
flat angles C4'-P-C4' energy: -147.670
flat angles P-C4'-P energy: -94.018
tors. eta vs tors. theta energy: -176.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2017.913387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.913387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.913387 (E_RNA)
where:
Base-Base interactions energy: -1391.068
where: short stacking energy: -616.000
Base-Backbone interact. energy: -3.039
local terms energy: -623.806622
where:
bonds (distance) C4'-P energy: -119.338
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -150.399
flat angles P-C4'-P energy: -69.867
tors. eta vs tors. theta energy: -172.963
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: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1804.812891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.812891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.812891 (E_RNA)
where:
Base-Base interactions energy: -1229.758
where: short stacking energy: -550.151
Base-Backbone interact. energy: -2.987
local terms energy: -572.067622
where:
bonds (distance) C4'-P energy: -116.486
bonds (distance) P-C4' energy: -111.076
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -77.787
tors. eta vs tors. theta energy: -136.687
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: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1748.933041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.933041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.933041 (E_RNA)
where:
Base-Base interactions energy: -1213.459
where: short stacking energy: -512.324
Base-Backbone interact. energy: 1.774
local terms energy: -537.248005
where:
bonds (distance) C4'-P energy: -104.412
bonds (distance) P-C4' energy: -115.289
flat angles C4'-P-C4' energy: -123.171
flat angles P-C4'-P energy: -81.954
tors. eta vs tors. theta energy: -112.422
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1447.732154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.732154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.732154 (E_RNA)
where:
Base-Base interactions energy: -952.564
where: short stacking energy: -433.976
Base-Backbone interact. energy: -5.171
local terms energy: -489.996770
where:
bonds (distance) C4'-P energy: -104.057
bonds (distance) P-C4' energy: -113.197
flat angles C4'-P-C4' energy: -120.326
flat angles P-C4'-P energy: -69.339
tors. eta vs tors. theta energy: -83.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1198.550015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.550015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.550015 (E_RNA)
where:
Base-Base interactions energy: -731.451
where: short stacking energy: -376.239
Base-Backbone interact. energy: -0.019
local terms energy: -467.080652
where:
bonds (distance) C4'-P energy: -119.762
bonds (distance) P-C4' energy: -118.541
flat angles C4'-P-C4' energy: -110.913
flat angles P-C4'-P energy: -72.005
tors. eta vs tors. theta energy: -45.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -956.751361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.751361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.751361 (E_RNA)
where:
Base-Base interactions energy: -537.413
where: short stacking energy: -261.628
Base-Backbone interact. energy: -2.895
local terms energy: -416.443867
where:
bonds (distance) C4'-P energy: -105.203
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -114.922
flat angles P-C4'-P energy: -57.282
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: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2464.924302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.924302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.924302 (E_RNA)
where:
Base-Base interactions energy: -1720.274
where: short stacking energy: -776.564
Base-Backbone interact. energy: -0.799
local terms energy: -743.851678
where:
bonds (distance) C4'-P energy: -133.676
bonds (distance) P-C4' energy: -141.317
flat angles C4'-P-C4' energy: -171.356
flat angles P-C4'-P energy: -98.112
tors. eta vs tors. theta energy: -199.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2356.454377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.454377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.454377 (E_RNA)
where:
Base-Base interactions energy: -1620.364
where: short stacking energy: -713.160
Base-Backbone interact. energy: 1.246
local terms energy: -737.336523
where:
bonds (distance) C4'-P energy: -141.041
bonds (distance) P-C4' energy: -145.148
flat angles C4'-P-C4' energy: -152.228
flat angles P-C4'-P energy: -95.143
tors. eta vs tors. theta energy: -203.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2251.794954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.794954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.794954 (E_RNA)
where:
Base-Base interactions energy: -1527.942
where: short stacking energy: -695.236
Base-Backbone interact. energy: -3.901
local terms energy: -719.951958
where:
bonds (distance) C4'-P energy: -133.420
bonds (distance) P-C4' energy: -131.825
flat angles C4'-P-C4' energy: -155.748
flat angles P-C4'-P energy: -96.811
tors. eta vs tors. theta energy: -202.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2135.142830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.142830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.142830 (E_RNA)
where:
Base-Base interactions energy: -1465.152
where: short stacking energy: -642.288
Base-Backbone interact. energy: -2.983
local terms energy: -667.007119
where:
bonds (distance) C4'-P energy: -130.701
bonds (distance) P-C4' energy: -123.947
flat angles C4'-P-C4' energy: -145.676
flat angles P-C4'-P energy: -93.130
tors. eta vs tors. theta energy: -173.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2034.496787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.496787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.496787 (E_RNA)
where:
Base-Base interactions energy: -1375.079
where: short stacking energy: -615.728
Base-Backbone interact. energy: -3.692
local terms energy: -655.726185
where:
bonds (distance) C4'-P energy: -125.998
bonds (distance) P-C4' energy: -124.278
flat angles C4'-P-C4' energy: -140.123
flat angles P-C4'-P energy: -112.671
tors. eta vs tors. theta energy: -152.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1801.507440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.507440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.507440 (E_RNA)
where:
Base-Base interactions energy: -1215.545
where: short stacking energy: -537.391
Base-Backbone interact. energy: -0.885
local terms energy: -585.077793
where:
bonds (distance) C4'-P energy: -125.851
bonds (distance) P-C4' energy: -110.326
flat angles C4'-P-C4' energy: -124.794
flat angles P-C4'-P energy: -88.482
tors. eta vs tors. theta energy: -135.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1726.339814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.339814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.339814 (E_RNA)
where:
Base-Base interactions energy: -1178.119
where: short stacking energy: -520.332
Base-Backbone interact. energy: 3.143
local terms energy: -551.363275
where:
bonds (distance) C4'-P energy: -107.583
bonds (distance) P-C4' energy: -112.431
flat angles C4'-P-C4' energy: -126.825
flat angles P-C4'-P energy: -76.294
tors. eta vs tors. theta energy: -128.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1495.986857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.986857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.986857 (E_RNA)
where:
Base-Base interactions energy: -1008.527
where: short stacking energy: -432.278
Base-Backbone interact. energy: -4.434
local terms energy: -483.026460
where:
bonds (distance) C4'-P energy: -106.468
bonds (distance) P-C4' energy: -124.955
flat angles C4'-P-C4' energy: -113.588
flat angles P-C4'-P energy: -61.798
tors. eta vs tors. theta energy: -76.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1249.287659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.287659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.287659 (E_RNA)
where:
Base-Base interactions energy: -823.689
where: short stacking energy: -381.405
Base-Backbone interact. energy: -3.531
local terms energy: -422.067970
where:
bonds (distance) C4'-P energy: -92.402
bonds (distance) P-C4' energy: -117.776
flat angles C4'-P-C4' energy: -108.631
flat angles P-C4'-P energy: -50.733
tors. eta vs tors. theta energy: -52.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -980.302933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.302933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.302933 (E_RNA)
where:
Base-Base interactions energy: -609.586
where: short stacking energy: -294.088
Base-Backbone interact. energy: -3.443
local terms energy: -367.274235
where:
bonds (distance) C4'-P energy: -84.070
bonds (distance) P-C4' energy: -114.631
flat angles C4'-P-C4' energy: -98.844
flat angles P-C4'-P energy: -49.367
tors. eta vs tors. theta energy: -20.361
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: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2445.439024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.439024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.439024 (E_RNA)
where:
Base-Base interactions energy: -1714.494
where: short stacking energy: -767.849
Base-Backbone interact. energy: -0.606
local terms energy: -730.339493
where:
bonds (distance) C4'-P energy: -122.033
bonds (distance) P-C4' energy: -138.011
flat angles C4'-P-C4' energy: -161.068
flat angles P-C4'-P energy: -98.362
tors. eta vs tors. theta energy: -210.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2364.896361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.896361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.896361 (E_RNA)
where:
Base-Base interactions energy: -1640.957
where: short stacking energy: -729.460
Base-Backbone interact. energy: 1.439
local terms energy: -725.378915
where:
bonds (distance) C4'-P energy: -139.601
bonds (distance) P-C4' energy: -125.797
flat angles C4'-P-C4' energy: -148.908
flat angles P-C4'-P energy: -94.109
tors. eta vs tors. theta energy: -216.964
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: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -2237.424588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.424588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.424588 (E_RNA)
where:
Base-Base interactions energy: -1521.199
where: short stacking energy: -658.288
Base-Backbone interact. energy: -3.069
local terms energy: -713.156730
where:
bonds (distance) C4'-P energy: -132.956
bonds (distance) P-C4' energy: -142.561
flat angles C4'-P-C4' energy: -150.093
flat angles P-C4'-P energy: -99.191
tors. eta vs tors. theta energy: -188.357
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: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2138.218142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.218142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.218142 (E_RNA)
where:
Base-Base interactions energy: -1457.363
where: short stacking energy: -627.392
Base-Backbone interact. energy: -3.163
local terms energy: -677.692050
where:
bonds (distance) C4'-P energy: -139.776
bonds (distance) P-C4' energy: -119.892
flat angles C4'-P-C4' energy: -155.274
flat angles P-C4'-P energy: -100.453
tors. eta vs tors. theta energy: -162.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -2077.321862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.321862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.321862 (E_RNA)
where:
Base-Base interactions energy: -1443.200
where: short stacking energy: -652.674
Base-Backbone interact. energy: 1.609
local terms energy: -635.731631
where:
bonds (distance) C4'-P energy: -109.770
bonds (distance) P-C4' energy: -123.551
flat angles C4'-P-C4' energy: -137.683
flat angles P-C4'-P energy: -102.396
tors. eta vs tors. theta energy: -162.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1851.199298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.199298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.199298 (E_RNA)
where:
Base-Base interactions energy: -1256.035
where: short stacking energy: -533.102
Base-Backbone interact. energy: -2.190
local terms energy: -592.974710
where:
bonds (distance) C4'-P energy: -111.183
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -135.378
flat angles P-C4'-P energy: -93.129
tors. eta vs tors. theta energy: -124.873
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1694.349589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.349589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.349589 (E_RNA)
where:
Base-Base interactions energy: -1146.909
where: short stacking energy: -518.509
Base-Backbone interact. energy: -1.620
local terms energy: -545.820391
where:
bonds (distance) C4'-P energy: -106.222
bonds (distance) P-C4' energy: -125.548
flat angles C4'-P-C4' energy: -131.493
flat angles P-C4'-P energy: -67.904
tors. eta vs tors. theta energy: -114.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1488.609466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.609466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.609466 (E_RNA)
where:
Base-Base interactions energy: -997.778
where: short stacking energy: -453.209
Base-Backbone interact. energy: -1.871
local terms energy: -488.960722
where:
bonds (distance) C4'-P energy: -109.897
bonds (distance) P-C4' energy: -114.960
flat angles C4'-P-C4' energy: -114.185
flat angles P-C4'-P energy: -66.217
tors. eta vs tors. theta energy: -83.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1314.777516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.777516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.777516 (E_RNA)
where:
Base-Base interactions energy: -887.742
where: short stacking energy: -366.202
Base-Backbone interact. energy: -2.117
local terms energy: -424.917918
where:
bonds (distance) C4'-P energy: -107.804
bonds (distance) P-C4' energy: -106.085
flat angles C4'-P-C4' energy: -122.045
flat angles P-C4'-P energy: -29.119
tors. eta vs tors. theta energy: -59.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -945.062833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.062833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.062833 (E_RNA)
where:
Base-Base interactions energy: -554.739
where: short stacking energy: -249.961
Base-Backbone interact. energy: 3.082
local terms energy: -393.405632
where:
bonds (distance) C4'-P energy: -116.345
bonds (distance) P-C4' energy: -117.246
flat angles C4'-P-C4' energy: -84.105
flat angles P-C4'-P energy: -70.951
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2460.332645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.332645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.332645 (E_RNA)
where:
Base-Base interactions energy: -1729.109
where: short stacking energy: -753.935
Base-Backbone interact. energy: -2.542
local terms energy: -728.682518
where:
bonds (distance) C4'-P energy: -140.013
bonds (distance) P-C4' energy: -133.783
flat angles C4'-P-C4' energy: -153.925
flat angles P-C4'-P energy: -101.089
tors. eta vs tors. theta energy: -199.871
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: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2341.814250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.814250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.814250 (E_RNA)
where:
Base-Base interactions energy: -1611.466
where: short stacking energy: -696.292
Base-Backbone interact. energy: -0.359
local terms energy: -729.989566
where:
bonds (distance) C4'-P energy: -142.265
bonds (distance) P-C4' energy: -134.340
flat angles C4'-P-C4' energy: -160.068
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -209.216
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: 10
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2257.991016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.991016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.991016 (E_RNA)
where:
Base-Base interactions energy: -1547.635
where: short stacking energy: -661.444
Base-Backbone interact. energy: -2.561
local terms energy: -707.795829
where:
bonds (distance) C4'-P energy: -138.615
bonds (distance) P-C4' energy: -125.581
flat angles C4'-P-C4' energy: -146.856
flat angles P-C4'-P energy: -108.985
tors. eta vs tors. theta energy: -187.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2107.954881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.954881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.954881 (E_RNA)
where:
Base-Base interactions energy: -1461.851
where: short stacking energy: -634.654
Base-Backbone interact. energy: -2.184
local terms energy: -643.919632
where:
bonds (distance) C4'-P energy: -120.803
bonds (distance) P-C4' energy: -128.322
flat angles C4'-P-C4' energy: -146.792
flat angles P-C4'-P energy: -91.047
tors. eta vs tors. theta energy: -156.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2055.476217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.476217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.476217 (E_RNA)
where:
Base-Base interactions energy: -1447.439
where: short stacking energy: -626.315
Base-Backbone interact. energy: -2.622
local terms energy: -605.414903
where:
bonds (distance) C4'-P energy: -103.143
bonds (distance) P-C4' energy: -110.601
flat angles C4'-P-C4' energy: -135.578
flat angles P-C4'-P energy: -93.156
tors. eta vs tors. theta energy: -162.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1854.866199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.866199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.866199 (E_RNA)
where:
Base-Base interactions energy: -1267.302
where: short stacking energy: -568.390
Base-Backbone interact. energy: -0.461
local terms energy: -587.103307
where:
bonds (distance) C4'-P energy: -129.399
bonds (distance) P-C4' energy: -112.394
flat angles C4'-P-C4' energy: -125.051
flat angles P-C4'-P energy: -82.888
tors. eta vs tors. theta energy: -137.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1667.510628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.510628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.510628 (E_RNA)
where:
Base-Base interactions energy: -1128.106
where: short stacking energy: -489.079
Base-Backbone interact. energy: -0.988
local terms energy: -538.417139
where:
bonds (distance) C4'-P energy: -104.136
bonds (distance) P-C4' energy: -110.916
flat angles C4'-P-C4' energy: -115.807
flat angles P-C4'-P energy: -89.019
tors. eta vs tors. theta energy: -118.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1509.094242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.094242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.094242 (E_RNA)
where:
Base-Base interactions energy: -974.454
where: short stacking energy: -457.162
Base-Backbone interact. energy: -2.407
local terms energy: -532.233360
where:
bonds (distance) C4'-P energy: -104.992
bonds (distance) P-C4' energy: -118.592
flat angles C4'-P-C4' energy: -130.094
flat angles P-C4'-P energy: -75.866
tors. eta vs tors. theta energy: -102.689
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: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -1273.381843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.381843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.381843 (E_RNA)
where:
Base-Base interactions energy: -817.093
where: short stacking energy: -370.174
Base-Backbone interact. energy: -1.981
local terms energy: -454.307935
where:
bonds (distance) C4'-P energy: -112.353
bonds (distance) P-C4' energy: -113.056
flat angles C4'-P-C4' energy: -108.406
flat angles P-C4'-P energy: -72.090
tors. eta vs tors. theta energy: -48.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -945.959126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.959126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.959126 (E_RNA)
where:
Base-Base interactions energy: -533.801
where: short stacking energy: -277.856
Base-Backbone interact. energy: 1.658
local terms energy: -413.816413
where:
bonds (distance) C4'-P energy: -106.727
bonds (distance) P-C4' energy: -122.625
flat angles C4'-P-C4' energy: -111.787
flat angles P-C4'-P energy: -51.812
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: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2448.937952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.937952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.937952 (E_RNA)
where:
Base-Base interactions energy: -1694.257
where: short stacking energy: -724.686
Base-Backbone interact. energy: 3.428
local terms energy: -758.109103
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -144.661
flat angles C4'-P-C4' energy: -165.116
flat angles P-C4'-P energy: -109.709
tors. eta vs tors. theta energy: -206.962
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: 106
Temperature: 0.950000
Total energy: -2361.060700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.060700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.060700 (E_RNA)
where:
Base-Base interactions energy: -1660.227
where: short stacking energy: -702.429
Base-Backbone interact. energy: -0.171
local terms energy: -700.662763
where:
bonds (distance) C4'-P energy: -111.887
bonds (distance) P-C4' energy: -139.547
flat angles C4'-P-C4' energy: -153.907
flat angles P-C4'-P energy: -104.031
tors. eta vs tors. theta energy: -191.291
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: 10
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2243.433062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.433062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.433062 (E_RNA)
where:
Base-Base interactions energy: -1589.614
where: short stacking energy: -687.997
Base-Backbone interact. energy: 2.390
local terms energy: -656.209358
where:
bonds (distance) C4'-P energy: -105.621
bonds (distance) P-C4' energy: -117.979
flat angles C4'-P-C4' energy: -145.706
flat angles P-C4'-P energy: -99.176
tors. eta vs tors. theta energy: -187.727
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: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2094.877168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.877168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.877168 (E_RNA)
where:
Base-Base interactions energy: -1428.965
where: short stacking energy: -615.882
Base-Backbone interact. energy: -4.331
local terms energy: -661.581166
where:
bonds (distance) C4'-P energy: -109.475
bonds (distance) P-C4' energy: -145.120
flat angles C4'-P-C4' energy: -145.492
flat angles P-C4'-P energy: -97.055
tors. eta vs tors. theta energy: -164.439
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: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2077.683834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.683834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.683834 (E_RNA)
where:
Base-Base interactions energy: -1448.024
where: short stacking energy: -648.922
Base-Backbone interact. energy: -0.122
local terms energy: -629.537611
where:
bonds (distance) C4'-P energy: -107.178
bonds (distance) P-C4' energy: -115.849
flat angles C4'-P-C4' energy: -138.724
flat angles P-C4'-P energy: -85.889
tors. eta vs tors. theta energy: -181.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1806.141144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.141144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.141144 (E_RNA)
where:
Base-Base interactions energy: -1246.338
where: short stacking energy: -575.159
Base-Backbone interact. energy: -2.146
local terms energy: -557.656364
where:
bonds (distance) C4'-P energy: -99.406
bonds (distance) P-C4' energy: -105.894
flat angles C4'-P-C4' energy: -134.824
flat angles P-C4'-P energy: -75.625
tors. eta vs tors. theta energy: -141.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1703.853215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.853215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.853215 (E_RNA)
where:
Base-Base interactions energy: -1131.881
where: short stacking energy: -500.028
Base-Backbone interact. energy: -1.550
local terms energy: -570.422173
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -128.829
flat angles C4'-P-C4' energy: -131.386
flat angles P-C4'-P energy: -81.550
tors. eta vs tors. theta energy: -117.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1517.288021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.288021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.288021 (E_RNA)
where:
Base-Base interactions energy: -1019.913
where: short stacking energy: -460.851
Base-Backbone interact. energy: 0.857
local terms energy: -498.232658
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -110.566
flat angles C4'-P-C4' energy: -106.283
flat angles P-C4'-P energy: -77.136
tors. eta vs tors. theta energy: -99.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1311.733412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.733412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.733412 (E_RNA)
where:
Base-Base interactions energy: -852.267
where: short stacking energy: -421.514
Base-Backbone interact. energy: 6.528
local terms energy: -465.993653
where:
bonds (distance) C4'-P energy: -106.429
bonds (distance) P-C4' energy: -108.046
flat angles C4'-P-C4' energy: -120.340
flat angles P-C4'-P energy: -61.590
tors. eta vs tors. theta energy: -69.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1003.843323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.843323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.843323 (E_RNA)
where:
Base-Base interactions energy: -585.124
where: short stacking energy: -303.865
Base-Backbone interact. energy: 0.072
local terms energy: -418.791439
where:
bonds (distance) C4'-P energy: -104.169
bonds (distance) P-C4' energy: -110.277
flat angles C4'-P-C4' energy: -110.629
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -38.970
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: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2436.164785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.164785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.164785 (E_RNA)
where:
Base-Base interactions energy: -1713.607
where: short stacking energy: -735.381
Base-Backbone interact. energy: -3.745
local terms energy: -718.812228
where:
bonds (distance) C4'-P energy: -135.145
bonds (distance) P-C4' energy: -133.491
flat angles C4'-P-C4' energy: -162.622
flat angles P-C4'-P energy: -94.964
tors. eta vs tors. theta energy: -192.589
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: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2404.045019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.045019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.045019 (E_RNA)
where:
Base-Base interactions energy: -1655.465
where: short stacking energy: -685.953
Base-Backbone interact. energy: -1.560
local terms energy: -747.020506
where:
bonds (distance) C4'-P energy: -140.805
bonds (distance) P-C4' energy: -139.697
flat angles C4'-P-C4' energy: -159.977
flat angles P-C4'-P energy: -101.580
tors. eta vs tors. theta energy: -204.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -2256.273563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.273563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.273563 (E_RNA)
where:
Base-Base interactions energy: -1555.312
where: short stacking energy: -708.671
Base-Backbone interact. energy: -3.531
local terms energy: -697.430536
where:
bonds (distance) C4'-P energy: -121.571
bonds (distance) P-C4' energy: -124.702
flat angles C4'-P-C4' energy: -150.853
flat angles P-C4'-P energy: -107.316
tors. eta vs tors. theta energy: -192.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2139.865761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.865761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.865761 (E_RNA)
where:
Base-Base interactions energy: -1494.679
where: short stacking energy: -652.515
Base-Backbone interact. energy: -0.508
local terms energy: -644.678715
where:
bonds (distance) C4'-P energy: -109.718
bonds (distance) P-C4' energy: -128.867
flat angles C4'-P-C4' energy: -149.197
flat angles P-C4'-P energy: -90.444
tors. eta vs tors. theta energy: -166.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -2048.044740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.044740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.044740 (E_RNA)
where:
Base-Base interactions energy: -1413.467
where: short stacking energy: -607.353
Base-Backbone interact. energy: 0.706
local terms energy: -635.283807
where:
bonds (distance) C4'-P energy: -125.689
bonds (distance) P-C4' energy: -126.751
flat angles C4'-P-C4' energy: -131.885
flat angles P-C4'-P energy: -89.983
tors. eta vs tors. theta energy: -160.976
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: 6, replica: 3
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1856.859412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.859412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.859412 (E_RNA)
where:
Base-Base interactions energy: -1250.677
where: short stacking energy: -553.136
Base-Backbone interact. energy: 1.669
local terms energy: -607.852345
where:
bonds (distance) C4'-P energy: -130.162
bonds (distance) P-C4' energy: -114.081
flat angles C4'-P-C4' energy: -147.232
flat angles P-C4'-P energy: -79.358
tors. eta vs tors. theta energy: -137.019
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: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1741.823704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.823704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.823704 (E_RNA)
where:
Base-Base interactions energy: -1181.791
where: short stacking energy: -495.293
Base-Backbone interact. energy: -3.271
local terms energy: -556.761280
where:
bonds (distance) C4'-P energy: -108.930
bonds (distance) P-C4' energy: -126.123
flat angles C4'-P-C4' energy: -123.331
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -125.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1489.082648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.082648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.082648 (E_RNA)
where:
Base-Base interactions energy: -1012.282
where: short stacking energy: -446.778
Base-Backbone interact. energy: 8.508
local terms energy: -485.308525
where:
bonds (distance) C4'-P energy: -108.235
bonds (distance) P-C4' energy: -115.594
flat angles C4'-P-C4' energy: -106.524
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -78.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1294.614976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.614976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.614976 (E_RNA)
where:
Base-Base interactions energy: -845.379
where: short stacking energy: -385.683
Base-Backbone interact. energy: -0.451
local terms energy: -448.784367
where:
bonds (distance) C4'-P energy: -105.086
bonds (distance) P-C4' energy: -118.163
flat angles C4'-P-C4' energy: -108.282
flat angles P-C4'-P energy: -74.243
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1054.945966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.945966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.945966 (E_RNA)
where:
Base-Base interactions energy: -621.254
where: short stacking energy: -311.505
Base-Backbone interact. energy: -1.038
local terms energy: -432.653635
where:
bonds (distance) C4'-P energy: -112.995
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -91.166
flat angles P-C4'-P energy: -70.011
tors. eta vs tors. theta energy: -35.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2479.488831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.488831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.488831 (E_RNA)
where:
Base-Base interactions energy: -1748.985
where: short stacking energy: -749.050
Base-Backbone interact. energy: -2.738
local terms energy: -727.765653
where:
bonds (distance) C4'-P energy: -136.844
bonds (distance) P-C4' energy: -140.760
flat angles C4'-P-C4' energy: -151.559
flat angles P-C4'-P energy: -91.947
tors. eta vs tors. theta energy: -206.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2386.893796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.893796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.893796 (E_RNA)
where:
Base-Base interactions energy: -1650.955
where: short stacking energy: -731.623
Base-Backbone interact. energy: -0.280
local terms energy: -735.658230
where:
bonds (distance) C4'-P energy: -138.361
bonds (distance) P-C4' energy: -133.222
flat angles C4'-P-C4' energy: -154.324
flat angles P-C4'-P energy: -109.333
tors. eta vs tors. theta energy: -200.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2258.666454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.666454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.666454 (E_RNA)
where:
Base-Base interactions energy: -1551.083
where: short stacking energy: -691.700
Base-Backbone interact. energy: -3.657
local terms energy: -703.926412
where:
bonds (distance) C4'-P energy: -126.726
bonds (distance) P-C4' energy: -138.274
flat angles C4'-P-C4' energy: -136.859
flat angles P-C4'-P energy: -112.574
tors. eta vs tors. theta energy: -189.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -2173.210114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.210114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.210114 (E_RNA)
where:
Base-Base interactions energy: -1525.502
where: short stacking energy: -673.455
Base-Backbone interact. energy: -1.377
local terms energy: -646.331253
where:
bonds (distance) C4'-P energy: -123.806
bonds (distance) P-C4' energy: -118.974
flat angles C4'-P-C4' energy: -134.341
flat angles P-C4'-P energy: -85.879
tors. eta vs tors. theta energy: -183.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -2063.583324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.583324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.583324 (E_RNA)
where:
Base-Base interactions energy: -1416.414
where: short stacking energy: -631.933
Base-Backbone interact. energy: 2.758
local terms energy: -649.927064
where:
bonds (distance) C4'-P energy: -115.905
bonds (distance) P-C4' energy: -132.525
flat angles C4'-P-C4' energy: -141.953
flat angles P-C4'-P energy: -88.032
tors. eta vs tors. theta energy: -171.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1877.055286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.055286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.055286 (E_RNA)
where:
Base-Base interactions energy: -1265.654
where: short stacking energy: -578.784
Base-Backbone interact. energy: 2.783
local terms energy: -614.184122
where:
bonds (distance) C4'-P energy: -111.714
bonds (distance) P-C4' energy: -128.048
flat angles C4'-P-C4' energy: -131.102
flat angles P-C4'-P energy: -90.501
tors. eta vs tors. theta energy: -152.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1701.440851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.440851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.440851 (E_RNA)
where:
Base-Base interactions energy: -1148.569
where: short stacking energy: -510.837
Base-Backbone interact. energy: -2.522
local terms energy: -550.350595
where:
bonds (distance) C4'-P energy: -129.601
bonds (distance) P-C4' energy: -112.740
flat angles C4'-P-C4' energy: -105.831
flat angles P-C4'-P energy: -81.342
tors. eta vs tors. theta energy: -120.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1553.372962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.372962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.372962 (E_RNA)
where:
Base-Base interactions energy: -1008.655
where: short stacking energy: -467.002
Base-Backbone interact. energy: 1.382
local terms energy: -546.100109
where:
bonds (distance) C4'-P energy: -99.952
bonds (distance) P-C4' energy: -129.572
flat angles C4'-P-C4' energy: -123.605
flat angles P-C4'-P energy: -72.690
tors. eta vs tors. theta energy: -120.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1318.936163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.936163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.936163 (E_RNA)
where:
Base-Base interactions energy: -865.233
where: short stacking energy: -362.801
Base-Backbone interact. energy: 0.091
local terms energy: -453.794565
where:
bonds (distance) C4'-P energy: -128.391
bonds (distance) P-C4' energy: -115.191
flat angles C4'-P-C4' energy: -95.212
flat angles P-C4'-P energy: -75.263
tors. eta vs tors. theta energy: -39.738
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: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1095.084920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.084920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.084920 (E_RNA)
where:
Base-Base interactions energy: -648.866
where: short stacking energy: -312.357
Base-Backbone interact. energy: 0.492
local terms energy: -446.711426
where:
bonds (distance) C4'-P energy: -118.858
bonds (distance) P-C4' energy: -107.834
flat angles C4'-P-C4' energy: -113.109
flat angles P-C4'-P energy: -61.090
tors. eta vs tors. theta energy: -45.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2485.382879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.382879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.382879 (E_RNA)
where:
Base-Base interactions energy: -1725.615
where: short stacking energy: -744.303
Base-Backbone interact. energy: -0.676
local terms energy: -759.091707
where:
bonds (distance) C4'-P energy: -148.304
bonds (distance) P-C4' energy: -147.680
flat angles C4'-P-C4' energy: -158.407
flat angles P-C4'-P energy: -97.718
tors. eta vs tors. theta energy: -206.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2357.602732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.602732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.602732 (E_RNA)
where:
Base-Base interactions energy: -1618.235
where: short stacking energy: -732.578
Base-Backbone interact. energy: -0.805
local terms energy: -738.562190
where:
bonds (distance) C4'-P energy: -127.681
bonds (distance) P-C4' energy: -147.617
flat angles C4'-P-C4' energy: -155.322
flat angles P-C4'-P energy: -109.076
tors. eta vs tors. theta energy: -198.866
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: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2234.465816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.465816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.465816 (E_RNA)
where:
Base-Base interactions energy: -1541.298
where: short stacking energy: -675.878
Base-Backbone interact. energy: -2.399
local terms energy: -690.768846
where:
bonds (distance) C4'-P energy: -132.650
bonds (distance) P-C4' energy: -125.086
flat angles C4'-P-C4' energy: -150.909
flat angles P-C4'-P energy: -104.273
tors. eta vs tors. theta energy: -177.850
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: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2207.947958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.947958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.947958 (E_RNA)
where:
Base-Base interactions energy: -1517.783
where: short stacking energy: -682.930
Base-Backbone interact. energy: -5.246
local terms energy: -684.919025
where:
bonds (distance) C4'-P energy: -120.946
bonds (distance) P-C4' energy: -122.048
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -97.764
tors. eta vs tors. theta energy: -192.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -2067.710243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.710243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.710243 (E_RNA)
where:
Base-Base interactions energy: -1418.568
where: short stacking energy: -646.755
Base-Backbone interact. energy: -3.120
local terms energy: -646.022798
where:
bonds (distance) C4'-P energy: -110.905
bonds (distance) P-C4' energy: -118.712
flat angles C4'-P-C4' energy: -140.013
flat angles P-C4'-P energy: -93.563
tors. eta vs tors. theta energy: -182.830
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: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1924.811637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.811637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.811637 (E_RNA)
where:
Base-Base interactions energy: -1344.310
where: short stacking energy: -576.416
Base-Backbone interact. energy: -3.313
local terms energy: -577.188986
where:
bonds (distance) C4'-P energy: -87.542
bonds (distance) P-C4' energy: -130.131
flat angles C4'-P-C4' energy: -123.489
flat angles P-C4'-P energy: -93.771
tors. eta vs tors. theta energy: -142.255
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: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1683.720696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.720696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.720696 (E_RNA)
where:
Base-Base interactions energy: -1127.927
where: short stacking energy: -518.524
Base-Backbone interact. energy: -3.794
local terms energy: -551.999732
where:
bonds (distance) C4'-P energy: -105.869
bonds (distance) P-C4' energy: -111.855
flat angles C4'-P-C4' energy: -127.646
flat angles P-C4'-P energy: -74.346
tors. eta vs tors. theta energy: -132.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1529.274016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.274016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.274016 (E_RNA)
where:
Base-Base interactions energy: -1021.222
where: short stacking energy: -447.408
Base-Backbone interact. energy: 6.636
local terms energy: -514.688289
where:
bonds (distance) C4'-P energy: -107.563
bonds (distance) P-C4' energy: -119.969
flat angles C4'-P-C4' energy: -115.360
flat angles P-C4'-P energy: -71.118
tors. eta vs tors. theta energy: -100.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1339.561974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.561974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.561974 (E_RNA)
where:
Base-Base interactions energy: -857.130
where: short stacking energy: -369.518
Base-Backbone interact. energy: 0.737
local terms energy: -483.168750
where:
bonds (distance) C4'-P energy: -121.247
bonds (distance) P-C4' energy: -129.050
flat angles C4'-P-C4' energy: -100.498
flat angles P-C4'-P energy: -82.748
tors. eta vs tors. theta energy: -49.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -1090.360001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.360001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.360001 (E_RNA)
where:
Base-Base interactions energy: -660.605
where: short stacking energy: -318.502
Base-Backbone interact. energy: 0.057
local terms energy: -429.811408
where:
bonds (distance) C4'-P energy: -109.078
bonds (distance) P-C4' energy: -108.446
flat angles C4'-P-C4' energy: -108.973
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -41.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2473.522894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.522894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.522894 (E_RNA)
where:
Base-Base interactions energy: -1720.637
where: short stacking energy: -734.265
Base-Backbone interact. energy: -2.203
local terms energy: -750.683446
where:
bonds (distance) C4'-P energy: -140.711
bonds (distance) P-C4' energy: -145.443
flat angles C4'-P-C4' energy: -154.974
flat angles P-C4'-P energy: -107.930
tors. eta vs tors. theta energy: -201.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2349.863287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.863287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.863287 (E_RNA)
where:
Base-Base interactions energy: -1631.871
where: short stacking energy: -707.418
Base-Backbone interact. energy: -0.903
local terms energy: -717.089107
where:
bonds (distance) C4'-P energy: -138.055
bonds (distance) P-C4' energy: -133.989
flat angles C4'-P-C4' energy: -152.973
flat angles P-C4'-P energy: -93.110
tors. eta vs tors. theta energy: -198.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2247.192524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.192524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.192524 (E_RNA)
where:
Base-Base interactions energy: -1565.036
where: short stacking energy: -678.587
Base-Backbone interact. energy: -2.114
local terms energy: -680.042643
where:
bonds (distance) C4'-P energy: -125.656
bonds (distance) P-C4' energy: -134.221
flat angles C4'-P-C4' energy: -137.738
flat angles P-C4'-P energy: -86.376
tors. eta vs tors. theta energy: -196.052
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: 4, replica: 2
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2172.328915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.328915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.328915 (E_RNA)
where:
Base-Base interactions energy: -1494.817
where: short stacking energy: -661.788
Base-Backbone interact. energy: -2.577
local terms energy: -674.935189
where:
bonds (distance) C4'-P energy: -135.022
bonds (distance) P-C4' energy: -131.358
flat angles C4'-P-C4' energy: -141.167
flat angles P-C4'-P energy: -92.765
tors. eta vs tors. theta energy: -174.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -2049.758097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.758097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.758097 (E_RNA)
where:
Base-Base interactions energy: -1396.185
where: short stacking energy: -633.459
Base-Backbone interact. energy: -1.612
local terms energy: -651.960637
where:
bonds (distance) C4'-P energy: -122.630
bonds (distance) P-C4' energy: -129.502
flat angles C4'-P-C4' energy: -145.761
flat angles P-C4'-P energy: -86.692
tors. eta vs tors. theta energy: -167.376
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1892.783972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.783972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.783972 (E_RNA)
where:
Base-Base interactions energy: -1307.029
where: short stacking energy: -577.319
Base-Backbone interact. energy: -1.693
local terms energy: -584.061669
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -121.768
flat angles C4'-P-C4' energy: -135.496
flat angles P-C4'-P energy: -81.422
tors. eta vs tors. theta energy: -139.374
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: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1744.850060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.850060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.850060 (E_RNA)
where:
Base-Base interactions energy: -1192.493
where: short stacking energy: -515.947
Base-Backbone interact. energy: 3.266
local terms energy: -555.623145
where:
bonds (distance) C4'-P energy: -126.104
bonds (distance) P-C4' energy: -117.194
flat angles C4'-P-C4' energy: -128.856
flat angles P-C4'-P energy: -74.400
tors. eta vs tors. theta energy: -109.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1578.909578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.909578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.909578 (E_RNA)
where:
Base-Base interactions energy: -1054.490
where: short stacking energy: -463.851
Base-Backbone interact. energy: -2.191
local terms energy: -522.228816
where:
bonds (distance) C4'-P energy: -90.827
bonds (distance) P-C4' energy: -113.811
flat angles C4'-P-C4' energy: -138.614
flat angles P-C4'-P energy: -79.277
tors. eta vs tors. theta energy: -99.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1350.096192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.096192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.096192 (E_RNA)
where:
Base-Base interactions energy: -875.552
where: short stacking energy: -399.059
Base-Backbone interact. energy: -1.803
local terms energy: -472.741126
where:
bonds (distance) C4'-P energy: -99.098
bonds (distance) P-C4' energy: -121.765
flat angles C4'-P-C4' energy: -124.108
flat angles P-C4'-P energy: -58.862
tors. eta vs tors. theta energy: -68.908
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: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -1068.458211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.458211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.458211 (E_RNA)
where:
Base-Base interactions energy: -641.674
where: short stacking energy: -329.468
Base-Backbone interact. energy: -1.037
local terms energy: -425.746954
where:
bonds (distance) C4'-P energy: -107.766
bonds (distance) P-C4' energy: -100.139
flat angles C4'-P-C4' energy: -121.328
flat angles P-C4'-P energy: -56.145
tors. eta vs tors. theta energy: -40.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2455.278634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.278634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.278634 (E_RNA)
where:
Base-Base interactions energy: -1722.290
where: short stacking energy: -742.496
Base-Backbone interact. energy: 3.759
local terms energy: -736.747677
where:
bonds (distance) C4'-P energy: -133.304
bonds (distance) P-C4' energy: -137.445
flat angles C4'-P-C4' energy: -167.809
flat angles P-C4'-P energy: -97.785
tors. eta vs tors. theta energy: -200.404
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: 5
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2402.796729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.796729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.796729 (E_RNA)
where:
Base-Base interactions energy: -1649.515
where: short stacking energy: -738.232
Base-Backbone interact. energy: -0.205
local terms energy: -753.076345
where:
bonds (distance) C4'-P energy: -128.281
bonds (distance) P-C4' energy: -134.450
flat angles C4'-P-C4' energy: -161.868
flat angles P-C4'-P energy: -117.607
tors. eta vs tors. theta energy: -210.870
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: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2261.750560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.750560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.750560 (E_RNA)
where:
Base-Base interactions energy: -1557.639
where: short stacking energy: -692.352
Base-Backbone interact. energy: -2.292
local terms energy: -701.819651
where:
bonds (distance) C4'-P energy: -123.620
bonds (distance) P-C4' energy: -118.994
flat angles C4'-P-C4' energy: -157.560
flat angles P-C4'-P energy: -111.827
tors. eta vs tors. theta energy: -189.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2174.485090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.485090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.485090 (E_RNA)
where:
Base-Base interactions energy: -1476.071
where: short stacking energy: -655.079
Base-Backbone interact. energy: -0.594
local terms energy: -697.820067
where:
bonds (distance) C4'-P energy: -134.659
bonds (distance) P-C4' energy: -143.523
flat angles C4'-P-C4' energy: -140.718
flat angles P-C4'-P energy: -85.552
tors. eta vs tors. theta energy: -193.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -2057.595322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.595322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.595322 (E_RNA)
where:
Base-Base interactions energy: -1389.165
where: short stacking energy: -621.921
Base-Backbone interact. energy: -0.539
local terms energy: -667.891305
where:
bonds (distance) C4'-P energy: -140.027
bonds (distance) P-C4' energy: -122.454
flat angles C4'-P-C4' energy: -137.537
flat angles P-C4'-P energy: -102.845
tors. eta vs tors. theta energy: -165.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1840.900976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.900976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.900976 (E_RNA)
where:
Base-Base interactions energy: -1251.388
where: short stacking energy: -547.511
Base-Backbone interact. energy: -0.498
local terms energy: -589.015018
where:
bonds (distance) C4'-P energy: -127.546
bonds (distance) P-C4' energy: -124.572
flat angles C4'-P-C4' energy: -128.494
flat angles P-C4'-P energy: -82.190
tors. eta vs tors. theta energy: -126.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1748.772264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.772264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.772264 (E_RNA)
where:
Base-Base interactions energy: -1182.509
where: short stacking energy: -534.394
Base-Backbone interact. energy: -3.123
local terms energy: -563.140634
where:
bonds (distance) C4'-P energy: -107.300
bonds (distance) P-C4' energy: -127.319
flat angles C4'-P-C4' energy: -120.129
flat angles P-C4'-P energy: -81.951
tors. eta vs tors. theta energy: -126.442
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: 8, replica: 6
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1522.445831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.445831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.445831 (E_RNA)
where:
Base-Base interactions energy: -1012.166
where: short stacking energy: -460.248
Base-Backbone interact. energy: -2.198
local terms energy: -508.081293
where:
bonds (distance) C4'-P energy: -110.478
bonds (distance) P-C4' energy: -113.768
flat angles C4'-P-C4' energy: -135.620
flat angles P-C4'-P energy: -58.055
tors. eta vs tors. theta energy: -90.160
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: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1357.235601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.235601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.235601 (E_RNA)
where:
Base-Base interactions energy: -907.032
where: short stacking energy: -379.836
Base-Backbone interact. energy: -2.935
local terms energy: -447.268801
where:
bonds (distance) C4'-P energy: -107.930
bonds (distance) P-C4' energy: -103.710
flat angles C4'-P-C4' energy: -115.844
flat angles P-C4'-P energy: -60.756
tors. eta vs tors. theta energy: -59.028
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: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1107.334976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.334976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.334976 (E_RNA)
where:
Base-Base interactions energy: -687.840
where: short stacking energy: -326.539
Base-Backbone interact. energy: -2.836
local terms energy: -416.659435
where:
bonds (distance) C4'-P energy: -102.623
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -90.372
flat angles P-C4'-P energy: -62.553
tors. eta vs tors. theta energy: -44.549
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: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2473.221300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.221300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.221300 (E_RNA)
where:
Base-Base interactions energy: -1749.404
where: short stacking energy: -753.502
Base-Backbone interact. energy: 0.109
local terms energy: -723.926320
where:
bonds (distance) C4'-P energy: -124.216
bonds (distance) P-C4' energy: -138.361
flat angles C4'-P-C4' energy: -161.170
flat angles P-C4'-P energy: -102.224
tors. eta vs tors. theta energy: -197.955
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: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2377.299461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.299461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.299461 (E_RNA)
where:
Base-Base interactions energy: -1642.793
where: short stacking energy: -699.101
Base-Backbone interact. energy: 0.100
local terms energy: -734.606237
where:
bonds (distance) C4'-P energy: -126.871
bonds (distance) P-C4' energy: -141.609
flat angles C4'-P-C4' energy: -151.189
flat angles P-C4'-P energy: -106.601
tors. eta vs tors. theta energy: -208.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2266.184148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.184148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.184148 (E_RNA)
where:
Base-Base interactions energy: -1565.672
where: short stacking energy: -679.994
Base-Backbone interact. energy: -3.282
local terms energy: -697.230371
where:
bonds (distance) C4'-P energy: -117.624
bonds (distance) P-C4' energy: -123.043
flat angles C4'-P-C4' energy: -165.510
flat angles P-C4'-P energy: -106.521
tors. eta vs tors. theta energy: -184.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2184.657008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.657008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.657008 (E_RNA)
where:
Base-Base interactions energy: -1505.385
where: short stacking energy: -645.696
Base-Backbone interact. energy: -0.471
local terms energy: -678.801163
where:
bonds (distance) C4'-P energy: -131.953
bonds (distance) P-C4' energy: -118.642
flat angles C4'-P-C4' energy: -151.621
flat angles P-C4'-P energy: -117.775
tors. eta vs tors. theta energy: -158.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -2041.733547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.733547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.733547 (E_RNA)
where:
Base-Base interactions energy: -1399.258
where: short stacking energy: -601.391
Base-Backbone interact. energy: -2.496
local terms energy: -639.979611
where:
bonds (distance) C4'-P energy: -120.777
bonds (distance) P-C4' energy: -132.773
flat angles C4'-P-C4' energy: -155.199
flat angles P-C4'-P energy: -76.773
tors. eta vs tors. theta energy: -154.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1809.038461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.038461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.038461 (E_RNA)
where:
Base-Base interactions energy: -1229.437
where: short stacking energy: -530.769
Base-Backbone interact. energy: -0.636
local terms energy: -578.965709
where:
bonds (distance) C4'-P energy: -121.481
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -134.832
flat angles P-C4'-P energy: -87.252
tors. eta vs tors. theta energy: -123.715
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: 9
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1675.206085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.206085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.206085 (E_RNA)
where:
Base-Base interactions energy: -1107.936
where: short stacking energy: -482.868
Base-Backbone interact. energy: 4.627
local terms energy: -571.896798
where:
bonds (distance) C4'-P energy: -117.365
bonds (distance) P-C4' energy: -123.502
flat angles C4'-P-C4' energy: -136.133
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -110.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1558.673688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.673688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.673688 (E_RNA)
where:
Base-Base interactions energy: -993.809
where: short stacking energy: -475.569
Base-Backbone interact. energy: 1.708
local terms energy: -566.572175
where:
bonds (distance) C4'-P energy: -111.441
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -132.732
flat angles P-C4'-P energy: -80.041
tors. eta vs tors. theta energy: -117.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1432.252677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.252677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.252677 (E_RNA)
where:
Base-Base interactions energy: -939.405
where: short stacking energy: -435.014
Base-Backbone interact. energy: -1.852
local terms energy: -490.995507
where:
bonds (distance) C4'-P energy: -130.759
bonds (distance) P-C4' energy: -92.732
flat angles C4'-P-C4' energy: -116.379
flat angles P-C4'-P energy: -70.246
tors. eta vs tors. theta energy: -80.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1142.739248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.739248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.739248 (E_RNA)
where:
Base-Base interactions energy: -702.866
where: short stacking energy: -314.030
Base-Backbone interact. energy: 2.266
local terms energy: -442.138818
where:
bonds (distance) C4'-P energy: -105.120
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -105.908
flat angles P-C4'-P energy: -75.641
tors. eta vs tors. theta energy: -34.103
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2485.313572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.313572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.313572 (E_RNA)
where:
Base-Base interactions energy: -1753.851
where: short stacking energy: -741.871
Base-Backbone interact. energy: -1.574
local terms energy: -729.887892
where:
bonds (distance) C4'-P energy: -121.188
bonds (distance) P-C4' energy: -131.732
flat angles C4'-P-C4' energy: -165.078
flat angles P-C4'-P energy: -109.169
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: 2, replica: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2371.980085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.980085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.980085 (E_RNA)
where:
Base-Base interactions energy: -1676.749
where: short stacking energy: -722.798
Base-Backbone interact. energy: 0.281
local terms energy: -695.511723
where:
bonds (distance) C4'-P energy: -116.970
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -144.477
flat angles P-C4'-P energy: -99.741
tors. eta vs tors. theta energy: -198.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2275.007849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.007849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.007849 (E_RNA)
where:
Base-Base interactions energy: -1582.697
where: short stacking energy: -660.040
Base-Backbone interact. energy: -1.053
local terms energy: -691.257399
where:
bonds (distance) C4'-P energy: -129.364
bonds (distance) P-C4' energy: -131.062
flat angles C4'-P-C4' energy: -157.034
flat angles P-C4'-P energy: -94.422
tors. eta vs tors. theta energy: -179.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2147.784220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.784220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.784220 (E_RNA)
where:
Base-Base interactions energy: -1480.099
where: short stacking energy: -662.888
Base-Backbone interact. energy: -0.065
local terms energy: -667.619702
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -138.996
flat angles C4'-P-C4' energy: -143.206
flat angles P-C4'-P energy: -94.487
tors. eta vs tors. theta energy: -175.398
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: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -2092.339017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.339017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.339017 (E_RNA)
where:
Base-Base interactions energy: -1438.273
where: short stacking energy: -616.746
Base-Backbone interact. energy: -2.096
local terms energy: -651.970303
where:
bonds (distance) C4'-P energy: -131.062
bonds (distance) P-C4' energy: -132.575
flat angles C4'-P-C4' energy: -134.448
flat angles P-C4'-P energy: -89.792
tors. eta vs tors. theta energy: -164.094
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: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1823.176378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.176378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.176378 (E_RNA)
where:
Base-Base interactions energy: -1242.551
where: short stacking energy: -559.410
Base-Backbone interact. energy: -5.719
local terms energy: -574.906499
where:
bonds (distance) C4'-P energy: -108.016
bonds (distance) P-C4' energy: -121.031
flat angles C4'-P-C4' energy: -128.029
flat angles P-C4'-P energy: -87.592
tors. eta vs tors. theta energy: -130.239
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: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1701.670414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.670414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.670414 (E_RNA)
where:
Base-Base interactions energy: -1169.580
where: short stacking energy: -516.852
Base-Backbone interact. energy: -3.058
local terms energy: -529.033239
where:
bonds (distance) C4'-P energy: -105.317
bonds (distance) P-C4' energy: -107.269
flat angles C4'-P-C4' energy: -118.862
flat angles P-C4'-P energy: -82.591
tors. eta vs tors. theta energy: -114.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1566.516263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.516263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.516263 (E_RNA)
where:
Base-Base interactions energy: -1041.753
where: short stacking energy: -453.228
Base-Backbone interact. energy: -1.067
local terms energy: -523.695407
where:
bonds (distance) C4'-P energy: -107.946
bonds (distance) P-C4' energy: -121.487
flat angles C4'-P-C4' energy: -105.377
flat angles P-C4'-P energy: -87.925
tors. eta vs tors. theta energy: -100.961
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: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1452.700730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.700730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.700730 (E_RNA)
where:
Base-Base interactions energy: -953.485
where: short stacking energy: -394.295
Base-Backbone interact. energy: 0.236
local terms energy: -499.451530
where:
bonds (distance) C4'-P energy: -97.582
bonds (distance) P-C4' energy: -131.288
flat angles C4'-P-C4' energy: -108.429
flat angles P-C4'-P energy: -69.750
tors. eta vs tors. theta energy: -92.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1137.759753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.759753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.759753 (E_RNA)
where:
Base-Base interactions energy: -711.707
where: short stacking energy: -326.662
Base-Backbone interact. energy: -1.881
local terms energy: -424.171626
where:
bonds (distance) C4'-P energy: -102.922
bonds (distance) P-C4' energy: -107.158
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -60.282
tors. eta vs tors. theta energy: -39.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2476.537428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.537428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.537428 (E_RNA)
where:
Base-Base interactions energy: -1722.443
where: short stacking energy: -743.758
Base-Backbone interact. energy: -3.431
local terms energy: -750.662889
where:
bonds (distance) C4'-P energy: -138.010
bonds (distance) P-C4' energy: -144.431
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -102.310
tors. eta vs tors. theta energy: -199.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2380.859003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.859003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.859003 (E_RNA)
where:
Base-Base interactions energy: -1668.951
where: short stacking energy: -722.019
Base-Backbone interact. energy: -1.892
local terms energy: -710.015852
where:
bonds (distance) C4'-P energy: -128.730
bonds (distance) P-C4' energy: -134.888
flat angles C4'-P-C4' energy: -151.254
flat angles P-C4'-P energy: -99.143
tors. eta vs tors. theta energy: -196.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2231.947070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.947070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.947070 (E_RNA)
where:
Base-Base interactions energy: -1524.045
where: short stacking energy: -651.944
Base-Backbone interact. energy: 2.555
local terms energy: -710.457064
where:
bonds (distance) C4'-P energy: -136.313
bonds (distance) P-C4' energy: -134.821
flat angles C4'-P-C4' energy: -152.743
flat angles P-C4'-P energy: -104.574
tors. eta vs tors. theta energy: -182.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2121.168222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.168222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.168222 (E_RNA)
where:
Base-Base interactions energy: -1442.601
where: short stacking energy: -649.617
Base-Backbone interact. energy: -3.584
local terms energy: -674.982868
where:
bonds (distance) C4'-P energy: -101.170
bonds (distance) P-C4' energy: -142.825
flat angles C4'-P-C4' energy: -148.971
flat angles P-C4'-P energy: -106.719
tors. eta vs tors. theta energy: -175.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -2079.221331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.221331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.221331 (E_RNA)
where:
Base-Base interactions energy: -1434.008
where: short stacking energy: -622.162
Base-Backbone interact. energy: -1.022
local terms energy: -644.191078
where:
bonds (distance) C4'-P energy: -118.592
bonds (distance) P-C4' energy: -128.865
flat angles C4'-P-C4' energy: -140.034
flat angles P-C4'-P energy: -90.324
tors. eta vs tors. theta energy: -166.376
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: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1792.176447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.176447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.176447 (E_RNA)
where:
Base-Base interactions energy: -1200.205
where: short stacking energy: -552.635
Base-Backbone interact. energy: -2.290
local terms energy: -589.681197
where:
bonds (distance) C4'-P energy: -94.781
bonds (distance) P-C4' energy: -121.367
flat angles C4'-P-C4' energy: -148.668
flat angles P-C4'-P energy: -87.603
tors. eta vs tors. theta energy: -137.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1731.901395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.901395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.901395 (E_RNA)
where:
Base-Base interactions energy: -1194.622
where: short stacking energy: -520.295
Base-Backbone interact. energy: 1.549
local terms energy: -538.828273
where:
bonds (distance) C4'-P energy: -92.384
bonds (distance) P-C4' energy: -123.600
flat angles C4'-P-C4' energy: -129.145
flat angles P-C4'-P energy: -74.740
tors. eta vs tors. theta energy: -118.960
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: 114
Temperature: 1.250000
Total energy: -1586.336231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.336231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.336231 (E_RNA)
where:
Base-Base interactions energy: -1061.519
where: short stacking energy: -469.338
Base-Backbone interact. energy: -2.393
local terms energy: -522.423906
where:
bonds (distance) C4'-P energy: -116.154
bonds (distance) P-C4' energy: -113.611
flat angles C4'-P-C4' energy: -104.890
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -114.599
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: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1350.243075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.243075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.243075 (E_RNA)
where:
Base-Base interactions energy: -905.997
where: short stacking energy: -408.904
Base-Backbone interact. energy: 3.702
local terms energy: -447.947744
where:
bonds (distance) C4'-P energy: -92.666
bonds (distance) P-C4' energy: -100.133
flat angles C4'-P-C4' energy: -118.866
flat angles P-C4'-P energy: -67.861
tors. eta vs tors. theta energy: -68.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1100.513597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.513597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.513597 (E_RNA)
where:
Base-Base interactions energy: -680.144
where: short stacking energy: -298.294
Base-Backbone interact. energy: 2.301
local terms energy: -422.671148
where:
bonds (distance) C4'-P energy: -119.502
bonds (distance) P-C4' energy: -123.864
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -47.885
tors. eta vs tors. theta energy: -34.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2454.397305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.397305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.397305 (E_RNA)
where:
Base-Base interactions energy: -1699.107
where: short stacking energy: -725.779
Base-Backbone interact. energy: -2.127
local terms energy: -753.163895
where:
bonds (distance) C4'-P energy: -136.037
bonds (distance) P-C4' energy: -151.108
flat angles C4'-P-C4' energy: -161.286
flat angles P-C4'-P energy: -103.685
tors. eta vs tors. theta energy: -201.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2357.873136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.873136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.873136 (E_RNA)
where:
Base-Base interactions energy: -1644.654
where: short stacking energy: -705.802
Base-Backbone interact. energy: -2.845
local terms energy: -710.373892
where:
bonds (distance) C4'-P energy: -139.013
bonds (distance) P-C4' energy: -143.154
flat angles C4'-P-C4' energy: -147.741
flat angles P-C4'-P energy: -87.758
tors. eta vs tors. theta energy: -192.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2221.724920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.724920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.724920 (E_RNA)
where:
Base-Base interactions energy: -1528.234
where: short stacking energy: -672.705
Base-Backbone interact. energy: -1.714
local terms energy: -691.777047
where:
bonds (distance) C4'-P energy: -137.201
bonds (distance) P-C4' energy: -132.611
flat angles C4'-P-C4' energy: -146.552
flat angles P-C4'-P energy: -90.605
tors. eta vs tors. theta energy: -184.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2200.534594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.534594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.534594 (E_RNA)
where:
Base-Base interactions energy: -1498.519
where: short stacking energy: -658.503
Base-Backbone interact. energy: -2.242
local terms energy: -699.773140
where:
bonds (distance) C4'-P energy: -123.424
bonds (distance) P-C4' energy: -148.951
flat angles C4'-P-C4' energy: -149.625
flat angles P-C4'-P energy: -105.511
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -2131.525313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.525313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.525313 (E_RNA)
where:
Base-Base interactions energy: -1497.233
where: short stacking energy: -660.490
Base-Backbone interact. energy: -1.562
local terms energy: -632.730164
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -103.802
flat angles C4'-P-C4' energy: -135.438
flat angles P-C4'-P energy: -108.447
tors. eta vs tors. theta energy: -173.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1804.277243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.277243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.277243 (E_RNA)
where:
Base-Base interactions energy: -1233.892
where: short stacking energy: -529.916
Base-Backbone interact. energy: -0.050
local terms energy: -570.335620
where:
bonds (distance) C4'-P energy: -96.840
bonds (distance) P-C4' energy: -127.879
flat angles C4'-P-C4' energy: -123.078
flat angles P-C4'-P energy: -88.666
tors. eta vs tors. theta energy: -133.873
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: 7, replica: 3
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1767.106045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.106045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.106045 (E_RNA)
where:
Base-Base interactions energy: -1198.902
where: short stacking energy: -526.290
Base-Backbone interact. energy: -3.527
local terms energy: -564.677954
where:
bonds (distance) C4'-P energy: -120.516
bonds (distance) P-C4' energy: -96.945
flat angles C4'-P-C4' energy: -122.149
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -129.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1577.750217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.750217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.750217 (E_RNA)
where:
Base-Base interactions energy: -1038.952
where: short stacking energy: -461.321
Base-Backbone interact. energy: -1.763
local terms energy: -537.034414
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -108.590
flat angles C4'-P-C4' energy: -142.088
flat angles P-C4'-P energy: -75.901
tors. eta vs tors. theta energy: -96.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1332.615064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.615064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.615064 (E_RNA)
where:
Base-Base interactions energy: -867.345
where: short stacking energy: -387.730
Base-Backbone interact. energy: -2.222
local terms energy: -463.048225
where:
bonds (distance) C4'-P energy: -102.386
bonds (distance) P-C4' energy: -107.586
flat angles C4'-P-C4' energy: -111.090
flat angles P-C4'-P energy: -70.267
tors. eta vs tors. theta energy: -71.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1051.536271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.536271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.536271 (E_RNA)
where:
Base-Base interactions energy: -646.395
where: short stacking energy: -295.140
Base-Backbone interact. energy: -0.520
local terms energy: -404.620783
where:
bonds (distance) C4'-P energy: -76.927
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -112.374
flat angles P-C4'-P energy: -57.312
tors. eta vs tors. theta energy: -31.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2436.101151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.101151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.101151 (E_RNA)
where:
Base-Base interactions energy: -1694.614
where: short stacking energy: -724.925
Base-Backbone interact. energy: -4.119
local terms energy: -737.368154
where:
bonds (distance) C4'-P energy: -132.853
bonds (distance) P-C4' energy: -146.843
flat angles C4'-P-C4' energy: -159.644
flat angles P-C4'-P energy: -103.294
tors. eta vs tors. theta energy: -194.733
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: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2374.085851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.085851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.085851 (E_RNA)
where:
Base-Base interactions energy: -1670.034
where: short stacking energy: -730.897
Base-Backbone interact. energy: -1.920
local terms energy: -702.131889
where:
bonds (distance) C4'-P energy: -128.033
bonds (distance) P-C4' energy: -131.016
flat angles C4'-P-C4' energy: -150.455
flat angles P-C4'-P energy: -98.726
tors. eta vs tors. theta energy: -193.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2213.400528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.400528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.400528 (E_RNA)
where:
Base-Base interactions energy: -1517.766
where: short stacking energy: -664.054
Base-Backbone interact. energy: -3.375
local terms energy: -692.259995
where:
bonds (distance) C4'-P energy: -120.102
bonds (distance) P-C4' energy: -133.738
flat angles C4'-P-C4' energy: -150.005
flat angles P-C4'-P energy: -96.870
tors. eta vs tors. theta energy: -191.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2188.177248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.177248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.177248 (E_RNA)
where:
Base-Base interactions energy: -1513.476
where: short stacking energy: -674.424
Base-Backbone interact. energy: -2.618
local terms energy: -672.082891
where:
bonds (distance) C4'-P energy: -109.063
bonds (distance) P-C4' energy: -118.389
flat angles C4'-P-C4' energy: -157.351
flat angles P-C4'-P energy: -94.490
tors. eta vs tors. theta energy: -192.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -2043.063960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.063960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.063960 (E_RNA)
where:
Base-Base interactions energy: -1431.502
where: short stacking energy: -605.096
Base-Backbone interact. energy: -0.752
local terms energy: -610.809845
where:
bonds (distance) C4'-P energy: -111.136
bonds (distance) P-C4' energy: -115.235
flat angles C4'-P-C4' energy: -149.358
flat angles P-C4'-P energy: -82.104
tors. eta vs tors. theta energy: -152.977
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: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1725.712769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.712769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.712769 (E_RNA)
where:
Base-Base interactions energy: -1186.136
where: short stacking energy: -519.667
Base-Backbone interact. energy: -5.218
local terms energy: -534.357849
where:
bonds (distance) C4'-P energy: -109.121
bonds (distance) P-C4' energy: -114.865
flat angles C4'-P-C4' energy: -118.121
flat angles P-C4'-P energy: -91.329
tors. eta vs tors. theta energy: -100.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1727.447112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.447112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.447112 (E_RNA)
where:
Base-Base interactions energy: -1136.581
where: short stacking energy: -518.573
Base-Backbone interact. energy: -2.273
local terms energy: -588.593338
where:
bonds (distance) C4'-P energy: -110.714
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -141.501
flat angles P-C4'-P energy: -76.720
tors. eta vs tors. theta energy: -130.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1500.399777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.399777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.399777 (E_RNA)
where:
Base-Base interactions energy: -1005.023
where: short stacking energy: -439.772
Base-Backbone interact. energy: -1.384
local terms energy: -493.992042
where:
bonds (distance) C4'-P energy: -95.965
bonds (distance) P-C4' energy: -111.845
flat angles C4'-P-C4' energy: -127.305
flat angles P-C4'-P energy: -65.503
tors. eta vs tors. theta energy: -93.374
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: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1294.489553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.489553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.489553 (E_RNA)
where:
Base-Base interactions energy: -827.149
where: short stacking energy: -360.688
Base-Backbone interact. energy: 0.775
local terms energy: -468.115687
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -124.130
flat angles C4'-P-C4' energy: -117.524
flat angles P-C4'-P energy: -79.222
tors. eta vs tors. theta energy: -50.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1064.162514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.162514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.162514 (E_RNA)
where:
Base-Base interactions energy: -666.673
where: short stacking energy: -321.001
Base-Backbone interact. energy: 6.160
local terms energy: -403.649837
where:
bonds (distance) C4'-P energy: -114.530
bonds (distance) P-C4' energy: -88.603
flat angles C4'-P-C4' energy: -97.263
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -36.088
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: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2495.887771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.887771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.887771 (E_RNA)
where:
Base-Base interactions energy: -1748.351
where: short stacking energy: -759.226
Base-Backbone interact. energy: -4.159
local terms energy: -743.378307
where:
bonds (distance) C4'-P energy: -141.297
bonds (distance) P-C4' energy: -137.915
flat angles C4'-P-C4' energy: -162.442
flat angles P-C4'-P energy: -95.441
tors. eta vs tors. theta energy: -206.283
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: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2376.903640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.903640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.903640 (E_RNA)
where:
Base-Base interactions energy: -1658.459
where: short stacking energy: -722.688
Base-Backbone interact. energy: -2.364
local terms energy: -716.080268
where:
bonds (distance) C4'-P energy: -121.200
bonds (distance) P-C4' energy: -122.722
flat angles C4'-P-C4' energy: -158.146
flat angles P-C4'-P energy: -104.923
tors. eta vs tors. theta energy: -209.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2246.082812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.082812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.082812 (E_RNA)
where:
Base-Base interactions energy: -1553.377
where: short stacking energy: -657.787
Base-Backbone interact. energy: -1.919
local terms energy: -690.786458
where:
bonds (distance) C4'-P energy: -124.672
bonds (distance) P-C4' energy: -145.535
flat angles C4'-P-C4' energy: -145.501
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -181.626
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: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2200.681240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.681240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.681240 (E_RNA)
where:
Base-Base interactions energy: -1509.086
where: short stacking energy: -669.082
Base-Backbone interact. energy: 1.620
local terms energy: -693.215100
where:
bonds (distance) C4'-P energy: -129.257
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -155.747
flat angles P-C4'-P energy: -96.626
tors. eta vs tors. theta energy: -192.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -2076.881054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.881054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.881054 (E_RNA)
where:
Base-Base interactions energy: -1413.989
where: short stacking energy: -623.972
Base-Backbone interact. energy: -2.393
local terms energy: -660.498763
where:
bonds (distance) C4'-P energy: -122.673
bonds (distance) P-C4' energy: -135.537
flat angles C4'-P-C4' energy: -146.316
flat angles P-C4'-P energy: -88.183
tors. eta vs tors. theta energy: -167.790
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: 6, replica: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1788.324766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.324766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.324766 (E_RNA)
where:
Base-Base interactions energy: -1218.069
where: short stacking energy: -530.617
Base-Backbone interact. energy: -3.976
local terms energy: -566.279777
where:
bonds (distance) C4'-P energy: -104.383
bonds (distance) P-C4' energy: -131.517
flat angles C4'-P-C4' energy: -143.093
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -114.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1758.342419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.342419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.342419 (E_RNA)
where:
Base-Base interactions energy: -1201.143
where: short stacking energy: -532.844
Base-Backbone interact. energy: -0.205
local terms energy: -556.994196
where:
bonds (distance) C4'-P energy: -109.694
bonds (distance) P-C4' energy: -115.764
flat angles C4'-P-C4' energy: -133.207
flat angles P-C4'-P energy: -73.493
tors. eta vs tors. theta energy: -124.837
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: 117
Temperature: 1.250000
Total energy: -1508.017593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.017593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.017593 (E_RNA)
where:
Base-Base interactions energy: -1019.602
where: short stacking energy: -430.645
Base-Backbone interact. energy: 0.440
local terms energy: -488.854926
where:
bonds (distance) C4'-P energy: -123.527
bonds (distance) P-C4' energy: -97.606
flat angles C4'-P-C4' energy: -122.132
flat angles P-C4'-P energy: -54.893
tors. eta vs tors. theta energy: -90.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1313.269607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.269607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.269607 (E_RNA)
where:
Base-Base interactions energy: -835.205
where: short stacking energy: -381.821
Base-Backbone interact. energy: 6.089
local terms energy: -484.153780
where:
bonds (distance) C4'-P energy: -108.080
bonds (distance) P-C4' energy: -117.503
flat angles C4'-P-C4' energy: -116.753
flat angles P-C4'-P energy: -71.301
tors. eta vs tors. theta energy: -70.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1144.815709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.815709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.815709 (E_RNA)
where:
Base-Base interactions energy: -735.544
where: short stacking energy: -354.135
Base-Backbone interact. energy: 1.442
local terms energy: -410.714026
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -106.910
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -54.385
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: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2486.765690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.765690 (E_RNA)
where:
Base-Base interactions energy: -1749.692
where: short stacking energy: -724.096
Base-Backbone interact. energy: -4.284
local terms energy: -732.789646
where:
bonds (distance) C4'-P energy: -138.346
bonds (distance) P-C4' energy: -137.353
flat angles C4'-P-C4' energy: -154.571
flat angles P-C4'-P energy: -113.849
tors. eta vs tors. theta energy: -188.670
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: 118
Temperature: 0.950000
Total energy: -2363.995903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.995903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.995903 (E_RNA)
where:
Base-Base interactions energy: -1649.967
where: short stacking energy: -708.143
Base-Backbone interact. energy: -1.268
local terms energy: -712.761174
where:
bonds (distance) C4'-P energy: -143.747
bonds (distance) P-C4' energy: -137.370
flat angles C4'-P-C4' energy: -144.414
flat angles P-C4'-P energy: -86.303
tors. eta vs tors. theta energy: -200.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -2224.323760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.323760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.323760 (E_RNA)
where:
Base-Base interactions energy: -1539.234
where: short stacking energy: -684.737
Base-Backbone interact. energy: -3.512
local terms energy: -681.577336
where:
bonds (distance) C4'-P energy: -131.910
bonds (distance) P-C4' energy: -134.145
flat angles C4'-P-C4' energy: -144.275
flat angles P-C4'-P energy: -92.322
tors. eta vs tors. theta energy: -178.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2222.417908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.417908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.417908 (E_RNA)
where:
Base-Base interactions energy: -1549.483
where: short stacking energy: -655.811
Base-Backbone interact. energy: -4.599
local terms energy: -668.336700
where:
bonds (distance) C4'-P energy: -125.028
bonds (distance) P-C4' energy: -116.747
flat angles C4'-P-C4' energy: -148.502
flat angles P-C4'-P energy: -93.338
tors. eta vs tors. theta energy: -184.721
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: 118
Temperature: 1.100000
Total energy: -2106.786900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.786900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.786900 (E_RNA)
where:
Base-Base interactions energy: -1447.363
where: short stacking energy: -629.248
Base-Backbone interact. energy: -4.188
local terms energy: -655.236016
where:
bonds (distance) C4'-P energy: -112.579
bonds (distance) P-C4' energy: -137.235
flat angles C4'-P-C4' energy: -148.531
flat angles P-C4'-P energy: -85.524
tors. eta vs tors. theta energy: -171.367
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: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1790.842810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.842810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.842810 (E_RNA)
where:
Base-Base interactions energy: -1269.705
where: short stacking energy: -556.113
Base-Backbone interact. energy: 0.120
local terms energy: -521.257645
where:
bonds (distance) C4'-P energy: -82.506
bonds (distance) P-C4' energy: -115.734
flat angles C4'-P-C4' energy: -130.042
flat angles P-C4'-P energy: -85.509
tors. eta vs tors. theta energy: -107.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1814.903944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.903944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.903944 (E_RNA)
where:
Base-Base interactions energy: -1247.902
where: short stacking energy: -525.591
Base-Backbone interact. energy: 0.515
local terms energy: -567.516391
where:
bonds (distance) C4'-P energy: -111.521
bonds (distance) P-C4' energy: -121.562
flat angles C4'-P-C4' energy: -122.027
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -123.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1566.555511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.555511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.555511 (E_RNA)
where:
Base-Base interactions energy: -1023.828
where: short stacking energy: -450.110
Base-Backbone interact. energy: 3.918
local terms energy: -546.645177
where:
bonds (distance) C4'-P energy: -121.456
bonds (distance) P-C4' energy: -112.749
flat angles C4'-P-C4' energy: -115.140
flat angles P-C4'-P energy: -93.786
tors. eta vs tors. theta energy: -103.515
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: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1289.178148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.178148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.178148 (E_RNA)
where:
Base-Base interactions energy: -859.110
where: short stacking energy: -406.837
Base-Backbone interact. energy: -3.733
local terms energy: -426.335879
where:
bonds (distance) C4'-P energy: -78.283
bonds (distance) P-C4' energy: -119.076
flat angles C4'-P-C4' energy: -102.268
flat angles P-C4'-P energy: -59.811
tors. eta vs tors. theta energy: -66.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1121.772057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.772057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.772057 (E_RNA)
where:
Base-Base interactions energy: -697.202
where: short stacking energy: -318.078
Base-Backbone interact. energy: 5.921
local terms energy: -430.490860
where:
bonds (distance) C4'-P energy: -108.257
bonds (distance) P-C4' energy: -108.259
flat angles C4'-P-C4' energy: -112.418
flat angles P-C4'-P energy: -66.905
tors. eta vs tors. theta energy: -34.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2482.380933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.380933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.380933 (E_RNA)
where:
Base-Base interactions energy: -1716.314
where: short stacking energy: -754.721
Base-Backbone interact. energy: -7.228
local terms energy: -758.838558
where:
bonds (distance) C4'-P energy: -129.576
bonds (distance) P-C4' energy: -133.130
flat angles C4'-P-C4' energy: -160.595
flat angles P-C4'-P energy: -120.843
tors. eta vs tors. theta energy: -214.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2356.005605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.005605 (E_RNA)
where:
Base-Base interactions energy: -1623.831
where: short stacking energy: -727.773
Base-Backbone interact. energy: 0.688
local terms energy: -732.862975
where:
bonds (distance) C4'-P energy: -133.241
bonds (distance) P-C4' energy: -137.018
flat angles C4'-P-C4' energy: -156.128
flat angles P-C4'-P energy: -102.819
tors. eta vs tors. theta energy: -203.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2269.658708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.658708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.658708 (E_RNA)
where:
Base-Base interactions energy: -1569.784
where: short stacking energy: -684.067
Base-Backbone interact. energy: -2.088
local terms energy: -697.785897
where:
bonds (distance) C4'-P energy: -142.258
bonds (distance) P-C4' energy: -127.389
flat angles C4'-P-C4' energy: -144.667
flat angles P-C4'-P energy: -95.785
tors. eta vs tors. theta energy: -187.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2211.619470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.619470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.619470 (E_RNA)
where:
Base-Base interactions energy: -1535.443
where: short stacking energy: -670.324
Base-Backbone interact. energy: -4.036
local terms energy: -672.140786
where:
bonds (distance) C4'-P energy: -118.526
bonds (distance) P-C4' energy: -134.319
flat angles C4'-P-C4' energy: -133.134
flat angles P-C4'-P energy: -104.102
tors. eta vs tors. theta energy: -182.060
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: 4
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -2098.132500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.132500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.132500 (E_RNA)
where:
Base-Base interactions energy: -1447.946
where: short stacking energy: -629.503
Base-Backbone interact. energy: 5.608
local terms energy: -655.794098
where:
bonds (distance) C4'-P energy: -108.686
bonds (distance) P-C4' energy: -133.112
flat angles C4'-P-C4' energy: -145.592
flat angles P-C4'-P energy: -98.958
tors. eta vs tors. theta energy: -169.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1900.396852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.396852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.396852 (E_RNA)
where:
Base-Base interactions energy: -1293.455
where: short stacking energy: -581.185
Base-Backbone interact. energy: -2.980
local terms energy: -603.962294
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -135.072
flat angles P-C4'-P energy: -86.653
tors. eta vs tors. theta energy: -145.777
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: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1721.192017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.192017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.192017 (E_RNA)
where:
Base-Base interactions energy: -1172.735
where: short stacking energy: -520.037
Base-Backbone interact. energy: -2.829
local terms energy: -545.628074
where:
bonds (distance) C4'-P energy: -106.858
bonds (distance) P-C4' energy: -111.647
flat angles C4'-P-C4' energy: -128.095
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -114.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1615.590005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.590005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.590005 (E_RNA)
where:
Base-Base interactions energy: -1048.761
where: short stacking energy: -459.752
Base-Backbone interact. energy: -1.002
local terms energy: -565.827516
where:
bonds (distance) C4'-P energy: -121.180
bonds (distance) P-C4' energy: -129.532
flat angles C4'-P-C4' energy: -117.428
flat angles P-C4'-P energy: -93.220
tors. eta vs tors. theta energy: -104.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1273.278994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.278994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.278994 (E_RNA)
where:
Base-Base interactions energy: -809.774
where: short stacking energy: -382.335
Base-Backbone interact. energy: -2.005
local terms energy: -461.499332
where:
bonds (distance) C4'-P energy: -115.027
bonds (distance) P-C4' energy: -121.267
flat angles C4'-P-C4' energy: -114.769
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -67.068
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: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1085.773224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.773224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.773224 (E_RNA)
where:
Base-Base interactions energy: -679.333
where: short stacking energy: -326.062
Base-Backbone interact. energy: 1.605
local terms energy: -408.045724
where:
bonds (distance) C4'-P energy: -104.858
bonds (distance) P-C4' energy: -103.618
flat angles C4'-P-C4' energy: -111.002
flat angles P-C4'-P energy: -58.254
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2497.816186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.816186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.816186 (E_RNA)
where:
Base-Base interactions energy: -1720.409
where: short stacking energy: -735.211
Base-Backbone interact. energy: -3.965
local terms energy: -773.442136
where:
bonds (distance) C4'-P energy: -142.785
bonds (distance) P-C4' energy: -151.756
flat angles C4'-P-C4' energy: -157.374
flat angles P-C4'-P energy: -119.442
tors. eta vs tors. theta energy: -202.085
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: 120
Temperature: 0.950000
Total energy: -2358.340238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.340238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.340238 (E_RNA)
where:
Base-Base interactions energy: -1623.399
where: short stacking energy: -731.400
Base-Backbone interact. energy: 3.575
local terms energy: -738.515868
where:
bonds (distance) C4'-P energy: -115.076
bonds (distance) P-C4' energy: -142.066
flat angles C4'-P-C4' energy: -159.198
flat angles P-C4'-P energy: -108.370
tors. eta vs tors. theta energy: -213.806
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: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2269.372938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.372938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.372938 (E_RNA)
where:
Base-Base interactions energy: -1552.262
where: short stacking energy: -686.154
Base-Backbone interact. energy: -3.989
local terms energy: -713.121743
where:
bonds (distance) C4'-P energy: -137.882
bonds (distance) P-C4' energy: -137.275
flat angles C4'-P-C4' energy: -156.128
flat angles P-C4'-P energy: -88.898
tors. eta vs tors. theta energy: -192.939
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: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2181.543897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.543897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.543897 (E_RNA)
where:
Base-Base interactions energy: -1524.139
where: short stacking energy: -628.879
Base-Backbone interact. energy: 2.765
local terms energy: -660.169281
where:
bonds (distance) C4'-P energy: -115.049
bonds (distance) P-C4' energy: -121.739
flat angles C4'-P-C4' energy: -149.432
flat angles P-C4'-P energy: -107.144
tors. eta vs tors. theta energy: -166.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -2047.659173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.659173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.659173 (E_RNA)
where:
Base-Base interactions energy: -1390.247
where: short stacking energy: -598.885
Base-Backbone interact. energy: -2.930
local terms energy: -654.482241
where:
bonds (distance) C4'-P energy: -117.142
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -143.994
flat angles P-C4'-P energy: -101.595
tors. eta vs tors. theta energy: -163.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1868.643545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.643545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.643545 (E_RNA)
where:
Base-Base interactions energy: -1259.292
where: short stacking energy: -540.927
Base-Backbone interact. energy: 4.190
local terms energy: -613.541575
where:
bonds (distance) C4'-P energy: -124.003
bonds (distance) P-C4' energy: -134.847
flat angles C4'-P-C4' energy: -133.474
flat angles P-C4'-P energy: -86.405
tors. eta vs tors. theta energy: -134.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1754.416281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.416281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.416281 (E_RNA)
where:
Base-Base interactions energy: -1210.294
where: short stacking energy: -521.141
Base-Backbone interact. energy: -1.667
local terms energy: -542.454892
where:
bonds (distance) C4'-P energy: -127.071
bonds (distance) P-C4' energy: -101.968
flat angles C4'-P-C4' energy: -120.819
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -111.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1570.106409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.106409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.106409 (E_RNA)
where:
Base-Base interactions energy: -1066.045
where: short stacking energy: -455.446
Base-Backbone interact. energy: -2.842
local terms energy: -501.219954
where:
bonds (distance) C4'-P energy: -111.231
bonds (distance) P-C4' energy: -103.009
flat angles C4'-P-C4' energy: -118.730
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -101.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1292.967729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.967729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.967729 (E_RNA)
where:
Base-Base interactions energy: -828.453
where: short stacking energy: -374.123
Base-Backbone interact. energy: 1.543
local terms energy: -466.057907
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -123.175
flat angles C4'-P-C4' energy: -124.716
flat angles P-C4'-P energy: -61.157
tors. eta vs tors. theta energy: -65.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1051.771062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.771062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.771062 (E_RNA)
where:
Base-Base interactions energy: -615.882
where: short stacking energy: -314.338
Base-Backbone interact. energy: 1.284
local terms energy: -437.172892
where:
bonds (distance) C4'-P energy: -99.128
bonds (distance) P-C4' energy: -109.998
flat angles C4'-P-C4' energy: -111.610
flat angles P-C4'-P energy: -74.551
tors. eta vs tors. theta energy: -41.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2473.143026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.143026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.143026 (E_RNA)
where:
Base-Base interactions energy: -1729.502
where: short stacking energy: -755.845
Base-Backbone interact. energy: -4.691
local terms energy: -738.950048
where:
bonds (distance) C4'-P energy: -128.886
bonds (distance) P-C4' energy: -145.672
flat angles C4'-P-C4' energy: -162.362
flat angles P-C4'-P energy: -93.756
tors. eta vs tors. theta energy: -208.274
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: 121
Temperature: 0.950000
Total energy: -2400.650925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.650925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.650925 (E_RNA)
where:
Base-Base interactions energy: -1661.080
where: short stacking energy: -735.044
Base-Backbone interact. energy: 0.105
local terms energy: -739.675329
where:
bonds (distance) C4'-P energy: -137.087
bonds (distance) P-C4' energy: -123.224
flat angles C4'-P-C4' energy: -167.451
flat angles P-C4'-P energy: -97.993
tors. eta vs tors. theta energy: -213.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2237.393926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.393926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.393926 (E_RNA)
where:
Base-Base interactions energy: -1544.607
where: short stacking energy: -680.127
Base-Backbone interact. energy: -2.798
local terms energy: -689.988827
where:
bonds (distance) C4'-P energy: -115.717
bonds (distance) P-C4' energy: -135.925
flat angles C4'-P-C4' energy: -159.311
flat angles P-C4'-P energy: -104.749
tors. eta vs tors. theta energy: -174.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2238.081699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.081699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.081699 (E_RNA)
where:
Base-Base interactions energy: -1581.610
where: short stacking energy: -653.700
Base-Backbone interact. energy: -2.864
local terms energy: -653.606808
where:
bonds (distance) C4'-P energy: -108.037
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -145.232
flat angles P-C4'-P energy: -93.418
tors. eta vs tors. theta energy: -171.114
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: 121
Temperature: 1.100000
Total energy: -2059.415765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.415765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.415765 (E_RNA)
where:
Base-Base interactions energy: -1443.303
where: short stacking energy: -584.241
Base-Backbone interact. energy: -2.509
local terms energy: -613.604179
where:
bonds (distance) C4'-P energy: -121.115
bonds (distance) P-C4' energy: -125.839
flat angles C4'-P-C4' energy: -138.350
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -145.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1846.040714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.040714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.040714 (E_RNA)
where:
Base-Base interactions energy: -1252.347
where: short stacking energy: -563.171
Base-Backbone interact. energy: -0.233
local terms energy: -593.460984
where:
bonds (distance) C4'-P energy: -129.960
bonds (distance) P-C4' energy: -104.270
flat angles C4'-P-C4' energy: -131.943
flat angles P-C4'-P energy: -82.650
tors. eta vs tors. theta energy: -144.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1756.788546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.788546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.788546 (E_RNA)
where:
Base-Base interactions energy: -1246.151
where: short stacking energy: -521.115
Base-Backbone interact. energy: 4.929
local terms energy: -515.566725
where:
bonds (distance) C4'-P energy: -106.034
bonds (distance) P-C4' energy: -121.567
flat angles C4'-P-C4' energy: -109.038
flat angles P-C4'-P energy: -65.156
tors. eta vs tors. theta energy: -113.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1552.975080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.975080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.975080 (E_RNA)
where:
Base-Base interactions energy: -1039.492
where: short stacking energy: -437.725
Base-Backbone interact. energy: -3.296
local terms energy: -510.186487
where:
bonds (distance) C4'-P energy: -101.071
bonds (distance) P-C4' energy: -122.585
flat angles C4'-P-C4' energy: -112.050
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -96.637
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: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1356.610503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.610503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.610503 (E_RNA)
where:
Base-Base interactions energy: -894.923
where: short stacking energy: -403.667
Base-Backbone interact. energy: 1.435
local terms energy: -463.122269
where:
bonds (distance) C4'-P energy: -116.676
bonds (distance) P-C4' energy: -119.432
flat angles C4'-P-C4' energy: -105.771
flat angles P-C4'-P energy: -63.113
tors. eta vs tors. theta energy: -58.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -1022.540027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.540027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.540027 (E_RNA)
where:
Base-Base interactions energy: -603.899
where: short stacking energy: -272.112
Base-Backbone interact. energy: -0.100
local terms energy: -418.541325
where:
bonds (distance) C4'-P energy: -108.302
bonds (distance) P-C4' energy: -118.594
flat angles C4'-P-C4' energy: -109.163
flat angles P-C4'-P energy: -53.567
tors. eta vs tors. theta energy: -28.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2481.635643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.635643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.635643 (E_RNA)
where:
Base-Base interactions energy: -1720.389
where: short stacking energy: -737.231
Base-Backbone interact. energy: -3.880
local terms energy: -757.366707
where:
bonds (distance) C4'-P energy: -148.678
bonds (distance) P-C4' energy: -143.160
flat angles C4'-P-C4' energy: -157.889
flat angles P-C4'-P energy: -107.120
tors. eta vs tors. theta energy: -200.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2384.663289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.663289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.663289 (E_RNA)
where:
Base-Base interactions energy: -1641.588
where: short stacking energy: -717.983
Base-Backbone interact. energy: 2.089
local terms energy: -745.164064
where:
bonds (distance) C4'-P energy: -133.141
bonds (distance) P-C4' energy: -137.952
flat angles C4'-P-C4' energy: -147.805
flat angles P-C4'-P energy: -114.882
tors. eta vs tors. theta energy: -211.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2220.666923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.666923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.666923 (E_RNA)
where:
Base-Base interactions energy: -1535.750
where: short stacking energy: -652.059
Base-Backbone interact. energy: -3.434
local terms energy: -681.482427
where:
bonds (distance) C4'-P energy: -133.907
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -154.303
flat angles P-C4'-P energy: -77.412
tors. eta vs tors. theta energy: -188.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -2216.653187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.653187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.653187 (E_RNA)
where:
Base-Base interactions energy: -1562.586
where: short stacking energy: -667.157
Base-Backbone interact. energy: -1.804
local terms energy: -652.263710
where:
bonds (distance) C4'-P energy: -128.487
bonds (distance) P-C4' energy: -131.337
flat angles C4'-P-C4' energy: -148.002
flat angles P-C4'-P energy: -76.071
tors. eta vs tors. theta energy: -168.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -2007.125298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.125298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.125298 (E_RNA)
where:
Base-Base interactions energy: -1363.372
where: short stacking energy: -599.049
Base-Backbone interact. energy: -3.105
local terms energy: -640.648466
where:
bonds (distance) C4'-P energy: -131.332
bonds (distance) P-C4' energy: -117.747
flat angles C4'-P-C4' energy: -141.965
flat angles P-C4'-P energy: -93.938
tors. eta vs tors. theta energy: -155.666
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: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1812.500598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.500598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.500598 (E_RNA)
where:
Base-Base interactions energy: -1210.899
where: short stacking energy: -505.868
Base-Backbone interact. energy: -1.057
local terms energy: -600.544994
where:
bonds (distance) C4'-P energy: -106.156
bonds (distance) P-C4' energy: -127.911
flat angles C4'-P-C4' energy: -136.890
flat angles P-C4'-P energy: -90.294
tors. eta vs tors. theta energy: -139.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1818.480183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.480183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.480183 (E_RNA)
where:
Base-Base interactions energy: -1237.688
where: short stacking energy: -515.398
Base-Backbone interact. energy: 3.460
local terms energy: -584.251573
where:
bonds (distance) C4'-P energy: -124.368
bonds (distance) P-C4' energy: -123.623
flat angles C4'-P-C4' energy: -132.259
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: -124.448
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1584.788020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.788020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.788020 (E_RNA)
where:
Base-Base interactions energy: -1040.936
where: short stacking energy: -472.369
Base-Backbone interact. energy: -1.101
local terms energy: -542.751815
where:
bonds (distance) C4'-P energy: -115.164
bonds (distance) P-C4' energy: -115.041
flat angles C4'-P-C4' energy: -124.324
flat angles P-C4'-P energy: -81.305
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: 9, replica: 1
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1373.358727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.358727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.358727 (E_RNA)
where:
Base-Base interactions energy: -898.162
where: short stacking energy: -395.827
Base-Backbone interact. energy: -2.071
local terms energy: -473.124886
where:
bonds (distance) C4'-P energy: -111.313
bonds (distance) P-C4' energy: -124.031
flat angles C4'-P-C4' energy: -119.951
flat angles P-C4'-P energy: -52.719
tors. eta vs tors. theta energy: -65.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -1060.859793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.859793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.859793 (E_RNA)
where:
Base-Base interactions energy: -615.715
where: short stacking energy: -305.356
Base-Backbone interact. energy: 0.763
local terms energy: -445.908043
where:
bonds (distance) C4'-P energy: -114.244
bonds (distance) P-C4' energy: -115.735
flat angles C4'-P-C4' energy: -117.754
flat angles P-C4'-P energy: -59.313
tors. eta vs tors. theta energy: -38.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2462.124918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.124918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.124918 (E_RNA)
where:
Base-Base interactions energy: -1722.588
where: short stacking energy: -724.388
Base-Backbone interact. energy: 0.654
local terms energy: -740.190882
where:
bonds (distance) C4'-P energy: -129.238
bonds (distance) P-C4' energy: -148.915
flat angles C4'-P-C4' energy: -154.814
flat angles P-C4'-P energy: -100.822
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: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2395.146053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.146053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.146053 (E_RNA)
where:
Base-Base interactions energy: -1681.523
where: short stacking energy: -736.692
Base-Backbone interact. energy: -1.533
local terms energy: -712.089908
where:
bonds (distance) C4'-P energy: -118.251
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -155.971
flat angles P-C4'-P energy: -103.341
tors. eta vs tors. theta energy: -208.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2244.238467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.238467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.238467 (E_RNA)
where:
Base-Base interactions energy: -1568.121
where: short stacking energy: -681.612
Base-Backbone interact. energy: -0.705
local terms energy: -675.411629
where:
bonds (distance) C4'-P energy: -131.032
bonds (distance) P-C4' energy: -123.851
flat angles C4'-P-C4' energy: -148.802
flat angles P-C4'-P energy: -84.915
tors. eta vs tors. theta energy: -186.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2254.764278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.764278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.764278 (E_RNA)
where:
Base-Base interactions energy: -1596.333
where: short stacking energy: -679.602
Base-Backbone interact. energy: -3.629
local terms energy: -654.802458
where:
bonds (distance) C4'-P energy: -117.758
bonds (distance) P-C4' energy: -130.241
flat angles C4'-P-C4' energy: -146.127
flat angles P-C4'-P energy: -87.617
tors. eta vs tors. theta energy: -173.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -2028.306496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.306496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.306496 (E_RNA)
where:
Base-Base interactions energy: -1376.493
where: short stacking energy: -595.394
Base-Backbone interact. energy: -1.107
local terms energy: -650.706571
where:
bonds (distance) C4'-P energy: -132.008
bonds (distance) P-C4' energy: -123.740
flat angles C4'-P-C4' energy: -134.707
flat angles P-C4'-P energy: -97.931
tors. eta vs tors. theta energy: -162.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1886.253682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.253682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.253682 (E_RNA)
where:
Base-Base interactions energy: -1309.427
where: short stacking energy: -557.118
Base-Backbone interact. energy: -3.238
local terms energy: -573.589233
where:
bonds (distance) C4'-P energy: -120.776
bonds (distance) P-C4' energy: -108.992
flat angles C4'-P-C4' energy: -136.619
flat angles P-C4'-P energy: -73.823
tors. eta vs tors. theta energy: -133.380
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: 3
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1784.585142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.585142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.585142 (E_RNA)
where:
Base-Base interactions energy: -1211.873
where: short stacking energy: -525.152
Base-Backbone interact. energy: -3.288
local terms energy: -569.424270
where:
bonds (distance) C4'-P energy: -112.304
bonds (distance) P-C4' energy: -123.498
flat angles C4'-P-C4' energy: -118.785
flat angles P-C4'-P energy: -80.966
tors. eta vs tors. theta energy: -133.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1620.380027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.380027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.380027 (E_RNA)
where:
Base-Base interactions energy: -1104.110
where: short stacking energy: -478.886
Base-Backbone interact. energy: 0.461
local terms energy: -516.730531
where:
bonds (distance) C4'-P energy: -99.806
bonds (distance) P-C4' energy: -116.114
flat angles C4'-P-C4' energy: -130.188
flat angles P-C4'-P energy: -70.126
tors. eta vs tors. theta energy: -100.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1506.802855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.802855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.802855 (E_RNA)
where:
Base-Base interactions energy: -1008.036
where: short stacking energy: -421.982
Base-Backbone interact. energy: 1.995
local terms energy: -500.761307
where:
bonds (distance) C4'-P energy: -108.379
bonds (distance) P-C4' energy: -118.555
flat angles C4'-P-C4' energy: -117.355
flat angles P-C4'-P energy: -66.773
tors. eta vs tors. theta energy: -89.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1078.520386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.520386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.520386 (E_RNA)
where:
Base-Base interactions energy: -661.436
where: short stacking energy: -307.532
Base-Backbone interact. energy: 3.855
local terms energy: -420.940224
where:
bonds (distance) C4'-P energy: -88.390
bonds (distance) P-C4' energy: -113.974
flat angles C4'-P-C4' energy: -115.098
flat angles P-C4'-P energy: -67.353
tors. eta vs tors. theta energy: -36.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2486.268049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.268049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.268049 (E_RNA)
where:
Base-Base interactions energy: -1727.027
where: short stacking energy: -719.241
Base-Backbone interact. energy: -5.415
local terms energy: -753.825444
where:
bonds (distance) C4'-P energy: -145.336
bonds (distance) P-C4' energy: -142.628
flat angles C4'-P-C4' energy: -151.935
flat angles P-C4'-P energy: -113.846
tors. eta vs tors. theta energy: -200.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2373.815691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.815691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.815691 (E_RNA)
where:
Base-Base interactions energy: -1626.736
where: short stacking energy: -699.668
Base-Backbone interact. energy: -2.633
local terms energy: -744.446343
where:
bonds (distance) C4'-P energy: -136.046
bonds (distance) P-C4' energy: -147.111
flat angles C4'-P-C4' energy: -152.309
flat angles P-C4'-P energy: -109.032
tors. eta vs tors. theta energy: -199.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2263.544737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.544737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.544737 (E_RNA)
where:
Base-Base interactions energy: -1571.747
where: short stacking energy: -661.365
Base-Backbone interact. energy: 1.614
local terms energy: -693.411989
where:
bonds (distance) C4'-P energy: -123.734
bonds (distance) P-C4' energy: -154.241
flat angles C4'-P-C4' energy: -151.786
flat angles P-C4'-P energy: -91.217
tors. eta vs tors. theta energy: -172.433
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: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2181.447491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.447491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.447491 (E_RNA)
where:
Base-Base interactions energy: -1503.703
where: short stacking energy: -681.896
Base-Backbone interact. energy: -2.398
local terms energy: -675.346235
where:
bonds (distance) C4'-P energy: -107.445
bonds (distance) P-C4' energy: -136.560
flat angles C4'-P-C4' energy: -153.705
flat angles P-C4'-P energy: -95.105
tors. eta vs tors. theta energy: -182.531
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -2027.945656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.945656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.945656 (E_RNA)
where:
Base-Base interactions energy: -1362.713
where: short stacking energy: -590.808
Base-Backbone interact. energy: -3.069
local terms energy: -662.164139
where:
bonds (distance) C4'-P energy: -123.813
bonds (distance) P-C4' energy: -148.376
flat angles C4'-P-C4' energy: -141.190
flat angles P-C4'-P energy: -96.509
tors. eta vs tors. theta energy: -152.277
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: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1833.234046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.234046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.234046 (E_RNA)
where:
Base-Base interactions energy: -1229.342
where: short stacking energy: -512.138
Base-Backbone interact. energy: -0.870
local terms energy: -603.021912
where:
bonds (distance) C4'-P energy: -130.420
bonds (distance) P-C4' energy: -143.488
flat angles C4'-P-C4' energy: -119.219
flat angles P-C4'-P energy: -83.506
tors. eta vs tors. theta energy: -126.389
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1751.797007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.797007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.797007 (E_RNA)
where:
Base-Base interactions energy: -1165.499
where: short stacking energy: -522.815
Base-Backbone interact. energy: -4.862
local terms energy: -581.435542
where:
bonds (distance) C4'-P energy: -115.025
bonds (distance) P-C4' energy: -117.089
flat angles C4'-P-C4' energy: -142.638
flat angles P-C4'-P energy: -88.922
tors. eta vs tors. theta energy: -117.762
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: 124
Temperature: 1.250000
Total energy: -1631.260573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.260573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.260573 (E_RNA)
where:
Base-Base interactions energy: -1097.187
where: short stacking energy: -483.446
Base-Backbone interact. energy: -1.237
local terms energy: -532.835767
where:
bonds (distance) C4'-P energy: -129.365
bonds (distance) P-C4' energy: -126.239
flat angles C4'-P-C4' energy: -115.112
flat angles P-C4'-P energy: -40.731
tors. eta vs tors. theta energy: -121.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1529.457501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.457501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.457501 (E_RNA)
where:
Base-Base interactions energy: -1047.262
where: short stacking energy: -438.566
Base-Backbone interact. energy: 1.544
local terms energy: -483.738871
where:
bonds (distance) C4'-P energy: -108.101
bonds (distance) P-C4' energy: -114.554
flat angles C4'-P-C4' energy: -107.813
flat angles P-C4'-P energy: -66.016
tors. eta vs tors. theta energy: -87.255
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: 8
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1037.449073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.449073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.449073 (E_RNA)
where:
Base-Base interactions energy: -627.364
where: short stacking energy: -302.330
Base-Backbone interact. energy: -0.910
local terms energy: -409.174849
where:
bonds (distance) C4'-P energy: -92.862
bonds (distance) P-C4' energy: -107.664
flat angles C4'-P-C4' energy: -112.412
flat angles P-C4'-P energy: -58.059
tors. eta vs tors. theta energy: -38.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2475.171006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.171006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.171006 (E_RNA)
where:
Base-Base interactions energy: -1721.188
where: short stacking energy: -733.147
Base-Backbone interact. energy: -1.318
local terms energy: -752.664129
where:
bonds (distance) C4'-P energy: -146.003
bonds (distance) P-C4' energy: -132.724
flat angles C4'-P-C4' energy: -157.046
flat angles P-C4'-P energy: -101.572
tors. eta vs tors. theta energy: -215.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2359.127603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.127603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.127603 (E_RNA)
where:
Base-Base interactions energy: -1632.098
where: short stacking energy: -730.133
Base-Backbone interact. energy: 1.236
local terms energy: -728.265316
where:
bonds (distance) C4'-P energy: -117.057
bonds (distance) P-C4' energy: -140.547
flat angles C4'-P-C4' energy: -157.196
flat angles P-C4'-P energy: -106.737
tors. eta vs tors. theta energy: -206.728
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2289.799627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.799627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.799627 (E_RNA)
where:
Base-Base interactions energy: -1595.008
where: short stacking energy: -704.815
Base-Backbone interact. energy: -3.180
local terms energy: -691.611885
where:
bonds (distance) C4'-P energy: -121.112
bonds (distance) P-C4' energy: -134.021
flat angles C4'-P-C4' energy: -145.880
flat angles P-C4'-P energy: -91.009
tors. eta vs tors. theta energy: -199.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2185.566122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.566122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.566122 (E_RNA)
where:
Base-Base interactions energy: -1485.317
where: short stacking energy: -663.184
Base-Backbone interact. energy: -0.489
local terms energy: -699.760478
where:
bonds (distance) C4'-P energy: -145.107
bonds (distance) P-C4' energy: -122.280
flat angles C4'-P-C4' energy: -158.655
flat angles P-C4'-P energy: -86.973
tors. eta vs tors. theta energy: -186.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -2047.711959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.711959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.711959 (E_RNA)
where:
Base-Base interactions energy: -1422.889
where: short stacking energy: -619.314
Base-Backbone interact. energy: 0.746
local terms energy: -625.568669
where:
bonds (distance) C4'-P energy: -109.543
bonds (distance) P-C4' energy: -128.833
flat angles C4'-P-C4' energy: -130.399
flat angles P-C4'-P energy: -82.029
tors. eta vs tors. theta energy: -174.765
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: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1877.707598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.707598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.707598 (E_RNA)
where:
Base-Base interactions energy: -1288.182
where: short stacking energy: -578.273
Base-Backbone interact. energy: -2.592
local terms energy: -586.933822
where:
bonds (distance) C4'-P energy: -114.662
bonds (distance) P-C4' energy: -119.158
flat angles C4'-P-C4' energy: -131.540
flat angles P-C4'-P energy: -86.499
tors. eta vs tors. theta energy: -135.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1746.362734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.362734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.362734 (E_RNA)
where:
Base-Base interactions energy: -1205.569
where: short stacking energy: -538.976
Base-Backbone interact. energy: -0.722
local terms energy: -540.071771
where:
bonds (distance) C4'-P energy: -107.909
bonds (distance) P-C4' energy: -122.750
flat angles C4'-P-C4' energy: -117.654
flat angles P-C4'-P energy: -67.054
tors. eta vs tors. theta energy: -124.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1549.705136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.705136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.705136 (E_RNA)
where:
Base-Base interactions energy: -1036.905
where: short stacking energy: -442.913
Base-Backbone interact. energy: 2.085
local terms energy: -514.886054
where:
bonds (distance) C4'-P energy: -126.811
bonds (distance) P-C4' energy: -120.124
flat angles C4'-P-C4' energy: -114.386
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: -98.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1473.394681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.394681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.394681 (E_RNA)
where:
Base-Base interactions energy: -944.733
where: short stacking energy: -423.046
Base-Backbone interact. energy: 3.277
local terms energy: -531.939201
where:
bonds (distance) C4'-P energy: -114.738
bonds (distance) P-C4' energy: -125.101
flat angles C4'-P-C4' energy: -134.001
flat angles P-C4'-P energy: -69.764
tors. eta vs tors. theta energy: -88.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1007.262233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.262233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.262233 (E_RNA)
where:
Base-Base interactions energy: -610.586
where: short stacking energy: -302.914
Base-Backbone interact. energy: -2.893
local terms energy: -393.782785
where:
bonds (distance) C4'-P energy: -105.616
bonds (distance) P-C4' energy: -106.017
flat angles C4'-P-C4' energy: -95.094
flat angles P-C4'-P energy: -70.481
tors. eta vs tors. theta energy: -16.576
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: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2515.858301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.858301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.858301 (E_RNA)
where:
Base-Base interactions energy: -1760.380
where: short stacking energy: -743.160
Base-Backbone interact. energy: -0.908
local terms energy: -754.570261
where:
bonds (distance) C4'-P energy: -142.820
bonds (distance) P-C4' energy: -138.258
flat angles C4'-P-C4' energy: -167.268
flat angles P-C4'-P energy: -99.152
tors. eta vs tors. theta energy: -207.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -2345.236604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.236604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.236604 (E_RNA)
where:
Base-Base interactions energy: -1624.214
where: short stacking energy: -736.331
Base-Backbone interact. energy: -1.288
local terms energy: -719.734817
where:
bonds (distance) C4'-P energy: -127.658
bonds (distance) P-C4' energy: -129.442
flat angles C4'-P-C4' energy: -154.195
flat angles P-C4'-P energy: -101.546
tors. eta vs tors. theta energy: -206.894
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: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2286.024836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.024836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.024836 (E_RNA)
where:
Base-Base interactions energy: -1574.001
where: short stacking energy: -673.379
Base-Backbone interact. energy: -2.599
local terms energy: -709.425077
where:
bonds (distance) C4'-P energy: -137.184
bonds (distance) P-C4' energy: -138.294
flat angles C4'-P-C4' energy: -158.849
flat angles P-C4'-P energy: -99.826
tors. eta vs tors. theta energy: -175.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2117.534884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.534884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.534884 (E_RNA)
where:
Base-Base interactions energy: -1470.162
where: short stacking energy: -647.707
Base-Backbone interact. energy: -2.489
local terms energy: -644.883919
where:
bonds (distance) C4'-P energy: -112.500
bonds (distance) P-C4' energy: -126.664
flat angles C4'-P-C4' energy: -137.949
flat angles P-C4'-P energy: -96.091
tors. eta vs tors. theta energy: -171.680
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: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -2090.473084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.473084 (E_RNA)
where:
Base-Base interactions energy: -1421.171
where: short stacking energy: -627.071
Base-Backbone interact. energy: -0.647
local terms energy: -668.655502
where:
bonds (distance) C4'-P energy: -130.505
bonds (distance) P-C4' energy: -131.316
flat angles C4'-P-C4' energy: -145.911
flat angles P-C4'-P energy: -83.943
tors. eta vs tors. theta energy: -176.980
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: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1817.406330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.406330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.406330 (E_RNA)
where:
Base-Base interactions energy: -1242.158
where: short stacking energy: -523.683
Base-Backbone interact. energy: -3.985
local terms energy: -571.263217
where:
bonds (distance) C4'-P energy: -101.184
bonds (distance) P-C4' energy: -114.344
flat angles C4'-P-C4' energy: -138.096
flat angles P-C4'-P energy: -90.733
tors. eta vs tors. theta energy: -126.906
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: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1718.746542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.746542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.746542 (E_RNA)
where:
Base-Base interactions energy: -1128.204
where: short stacking energy: -500.835
Base-Backbone interact. energy: 0.792
local terms energy: -591.335051
where:
bonds (distance) C4'-P energy: -121.265
bonds (distance) P-C4' energy: -141.794
flat angles C4'-P-C4' energy: -133.881
flat angles P-C4'-P energy: -75.933
tors. eta vs tors. theta energy: -118.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1597.363634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.363634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.363634 (E_RNA)
where:
Base-Base interactions energy: -1079.937
where: short stacking energy: -469.149
Base-Backbone interact. energy: -0.312
local terms energy: -517.114975
where:
bonds (distance) C4'-P energy: -104.449
bonds (distance) P-C4' energy: -117.469
flat angles C4'-P-C4' energy: -118.023
flat angles P-C4'-P energy: -79.000
tors. eta vs tors. theta energy: -98.174
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: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1453.385513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.385513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.385513 (E_RNA)
where:
Base-Base interactions energy: -969.809
where: short stacking energy: -402.232
Base-Backbone interact. energy: -1.119
local terms energy: -482.456934
where:
bonds (distance) C4'-P energy: -103.981
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -125.729
flat angles P-C4'-P energy: -75.496
tors. eta vs tors. theta energy: -56.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -1101.148707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.148707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.148707 (E_RNA)
where:
Base-Base interactions energy: -649.975
where: short stacking energy: -331.716
Base-Backbone interact. energy: -2.725
local terms energy: -448.449655
where:
bonds (distance) C4'-P energy: -109.427
bonds (distance) P-C4' energy: -115.084
flat angles C4'-P-C4' energy: -104.352
flat angles P-C4'-P energy: -67.711
tors. eta vs tors. theta energy: -51.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2508.753491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.753491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.753491 (E_RNA)
where:
Base-Base interactions energy: -1739.917
where: short stacking energy: -744.362
Base-Backbone interact. energy: -4.329
local terms energy: -764.507011
where:
bonds (distance) C4'-P energy: -142.760
bonds (distance) P-C4' energy: -139.003
flat angles C4'-P-C4' energy: -162.983
flat angles P-C4'-P energy: -113.354
tors. eta vs tors. theta energy: -206.408
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: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -2362.463298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.463298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.463298 (E_RNA)
where:
Base-Base interactions energy: -1621.474
where: short stacking energy: -728.949
Base-Backbone interact. energy: 2.212
local terms energy: -743.201233
where:
bonds (distance) C4'-P energy: -137.674
bonds (distance) P-C4' energy: -129.729
flat angles C4'-P-C4' energy: -165.402
flat angles P-C4'-P energy: -102.288
tors. eta vs tors. theta energy: -208.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2310.583158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.583158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.583158 (E_RNA)
where:
Base-Base interactions energy: -1605.666
where: short stacking energy: -714.635
Base-Backbone interact. energy: 2.441
local terms energy: -707.358124
where:
bonds (distance) C4'-P energy: -124.743
bonds (distance) P-C4' energy: -129.701
flat angles C4'-P-C4' energy: -149.612
flat angles P-C4'-P energy: -97.981
tors. eta vs tors. theta energy: -205.322
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: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2139.128202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.128202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.128202 (E_RNA)
where:
Base-Base interactions energy: -1461.607
where: short stacking energy: -653.548
Base-Backbone interact. energy: 3.896
local terms energy: -681.416629
where:
bonds (distance) C4'-P energy: -117.376
bonds (distance) P-C4' energy: -129.629
flat angles C4'-P-C4' energy: -155.387
flat angles P-C4'-P energy: -100.664
tors. eta vs tors. theta energy: -178.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -2068.379110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.379110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.379110 (E_RNA)
where:
Base-Base interactions energy: -1425.625
where: short stacking energy: -647.210
Base-Backbone interact. energy: -1.942
local terms energy: -640.812487
where:
bonds (distance) C4'-P energy: -119.811
bonds (distance) P-C4' energy: -128.865
flat angles C4'-P-C4' energy: -133.860
flat angles P-C4'-P energy: -86.900
tors. eta vs tors. theta energy: -171.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1814.561265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.561265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.561265 (E_RNA)
where:
Base-Base interactions energy: -1236.348
where: short stacking energy: -544.220
Base-Backbone interact. energy: -3.142
local terms energy: -575.071230
where:
bonds (distance) C4'-P energy: -116.039
bonds (distance) P-C4' energy: -124.203
flat angles C4'-P-C4' energy: -115.876
flat angles P-C4'-P energy: -83.981
tors. eta vs tors. theta energy: -134.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1720.311087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.311087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.311087 (E_RNA)
where:
Base-Base interactions energy: -1143.324
where: short stacking energy: -529.921
Base-Backbone interact. energy: -2.269
local terms energy: -574.718483
where:
bonds (distance) C4'-P energy: -132.530
bonds (distance) P-C4' energy: -100.954
flat angles C4'-P-C4' energy: -132.896
flat angles P-C4'-P energy: -85.499
tors. eta vs tors. theta energy: -122.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1575.662076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.662076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.662076 (E_RNA)
where:
Base-Base interactions energy: -1061.444
where: short stacking energy: -455.316
Base-Backbone interact. energy: -2.287
local terms energy: -511.931016
where:
bonds (distance) C4'-P energy: -108.709
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -131.701
flat angles P-C4'-P energy: -73.903
tors. eta vs tors. theta energy: -89.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1366.541577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.541577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.541577 (E_RNA)
where:
Base-Base interactions energy: -865.819
where: short stacking energy: -381.795
Base-Backbone interact. energy: -3.203
local terms energy: -497.520265
where:
bonds (distance) C4'-P energy: -110.286
bonds (distance) P-C4' energy: -126.945
flat angles C4'-P-C4' energy: -122.883
flat angles P-C4'-P energy: -75.005
tors. eta vs tors. theta energy: -62.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -1175.362254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.362254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.362254 (E_RNA)
where:
Base-Base interactions energy: -723.048
where: short stacking energy: -337.788
Base-Backbone interact. energy: -0.083
local terms energy: -452.231310
where:
bonds (distance) C4'-P energy: -98.922
bonds (distance) P-C4' energy: -133.469
flat angles C4'-P-C4' energy: -97.903
flat angles P-C4'-P energy: -60.114
tors. eta vs tors. theta energy: -61.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2525.681094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.681094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.681094 (E_RNA)
where:
Base-Base interactions energy: -1762.927
where: short stacking energy: -744.067
Base-Backbone interact. energy: -4.855
local terms energy: -757.899047
where:
bonds (distance) C4'-P energy: -138.356
bonds (distance) P-C4' energy: -137.056
flat angles C4'-P-C4' energy: -166.192
flat angles P-C4'-P energy: -102.242
tors. eta vs tors. theta energy: -214.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2383.082199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.082199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.082199 (E_RNA)
where:
Base-Base interactions energy: -1633.733
where: short stacking energy: -730.729
Base-Backbone interact. energy: -1.581
local terms energy: -747.768135
where:
bonds (distance) C4'-P energy: -132.489
bonds (distance) P-C4' energy: -142.705
flat angles C4'-P-C4' energy: -163.538
flat angles P-C4'-P energy: -91.087
tors. eta vs tors. theta energy: -217.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2292.022925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.022925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.022925 (E_RNA)
where:
Base-Base interactions energy: -1571.200
where: short stacking energy: -681.130
Base-Backbone interact. energy: -2.321
local terms energy: -718.501847
where:
bonds (distance) C4'-P energy: -127.804
bonds (distance) P-C4' energy: -141.964
flat angles C4'-P-C4' energy: -155.745
flat angles P-C4'-P energy: -97.244
tors. eta vs tors. theta energy: -195.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2110.708732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.708732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.708732 (E_RNA)
where:
Base-Base interactions energy: -1435.516
where: short stacking energy: -638.627
Base-Backbone interact. energy: -1.638
local terms energy: -673.555026
where:
bonds (distance) C4'-P energy: -131.990
bonds (distance) P-C4' energy: -127.619
flat angles C4'-P-C4' energy: -149.138
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -186.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -2071.383937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.383937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.383937 (E_RNA)
where:
Base-Base interactions energy: -1429.232
where: short stacking energy: -617.599
Base-Backbone interact. energy: -1.864
local terms energy: -640.287283
where:
bonds (distance) C4'-P energy: -113.448
bonds (distance) P-C4' energy: -121.390
flat angles C4'-P-C4' energy: -147.531
flat angles P-C4'-P energy: -87.226
tors. eta vs tors. theta energy: -170.692
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: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1801.994854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.994854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.994854 (E_RNA)
where:
Base-Base interactions energy: -1235.170
where: short stacking energy: -511.507
Base-Backbone interact. energy: -6.146
local terms energy: -560.678867
where:
bonds (distance) C4'-P energy: -107.388
bonds (distance) P-C4' energy: -137.588
flat angles C4'-P-C4' energy: -125.654
flat angles P-C4'-P energy: -83.513
tors. eta vs tors. theta energy: -106.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1765.900764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.900764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.900764 (E_RNA)
where:
Base-Base interactions energy: -1158.569
where: short stacking energy: -514.789
Base-Backbone interact. energy: 0.890
local terms energy: -608.221133
where:
bonds (distance) C4'-P energy: -115.826
bonds (distance) P-C4' energy: -131.356
flat angles C4'-P-C4' energy: -129.897
flat angles P-C4'-P energy: -82.771
tors. eta vs tors. theta energy: -148.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1620.084963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.084963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.084963 (E_RNA)
where:
Base-Base interactions energy: -1091.396
where: short stacking energy: -486.448
Base-Backbone interact. energy: 3.303
local terms energy: -531.992095
where:
bonds (distance) C4'-P energy: -115.142
bonds (distance) P-C4' energy: -115.987
flat angles C4'-P-C4' energy: -123.360
flat angles P-C4'-P energy: -62.128
tors. eta vs tors. theta energy: -115.375
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: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1362.596919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.596919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.596919 (E_RNA)
where:
Base-Base interactions energy: -909.656
where: short stacking energy: -419.178
Base-Backbone interact. energy: 4.677
local terms energy: -457.618162
where:
bonds (distance) C4'-P energy: -108.795
bonds (distance) P-C4' energy: -107.213
flat angles C4'-P-C4' energy: -113.482
flat angles P-C4'-P energy: -70.509
tors. eta vs tors. theta energy: -57.618
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: 10, replica: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -1078.142586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.142586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.142586 (E_RNA)
where:
Base-Base interactions energy: -656.849
where: short stacking energy: -309.558
Base-Backbone interact. energy: 2.823
local terms energy: -424.116776
where:
bonds (distance) C4'-P energy: -107.823
bonds (distance) P-C4' energy: -98.918
flat angles C4'-P-C4' energy: -117.319
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: -57.170
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: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2495.861657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.861657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.861657 (E_RNA)
where:
Base-Base interactions energy: -1751.124
where: short stacking energy: -753.351
Base-Backbone interact. energy: -0.996
local terms energy: -743.742026
where:
bonds (distance) C4'-P energy: -129.138
bonds (distance) P-C4' energy: -136.353
flat angles C4'-P-C4' energy: -164.981
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -213.876
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: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2363.901851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.901851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.901851 (E_RNA)
where:
Base-Base interactions energy: -1647.752
where: short stacking energy: -713.444
Base-Backbone interact. energy: -4.045
local terms energy: -712.105017
where:
bonds (distance) C4'-P energy: -129.987
bonds (distance) P-C4' energy: -132.765
flat angles C4'-P-C4' energy: -149.484
flat angles P-C4'-P energy: -98.879
tors. eta vs tors. theta energy: -200.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2326.162597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.162597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.162597 (E_RNA)
where:
Base-Base interactions energy: -1599.578
where: short stacking energy: -712.979
Base-Backbone interact. energy: -1.554
local terms energy: -725.030691
where:
bonds (distance) C4'-P energy: -133.240
bonds (distance) P-C4' energy: -135.253
flat angles C4'-P-C4' energy: -160.528
flat angles P-C4'-P energy: -94.636
tors. eta vs tors. theta energy: -201.373
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: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2126.763354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.763354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.763354 (E_RNA)
where:
Base-Base interactions energy: -1433.816
where: short stacking energy: -679.235
Base-Backbone interact. energy: -1.401
local terms energy: -691.546404
where:
bonds (distance) C4'-P energy: -121.245
bonds (distance) P-C4' energy: -144.935
flat angles C4'-P-C4' energy: -145.347
flat angles P-C4'-P energy: -102.345
tors. eta vs tors. theta energy: -177.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -2082.756209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.756209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.756209 (E_RNA)
where:
Base-Base interactions energy: -1430.447
where: short stacking energy: -613.474
Base-Backbone interact. energy: 1.328
local terms energy: -653.636433
where:
bonds (distance) C4'-P energy: -129.268
bonds (distance) P-C4' energy: -149.220
flat angles C4'-P-C4' energy: -124.590
flat angles P-C4'-P energy: -82.453
tors. eta vs tors. theta energy: -168.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1780.476533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.476533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.476533 (E_RNA)
where:
Base-Base interactions energy: -1181.623
where: short stacking energy: -525.796
Base-Backbone interact. energy: -1.776
local terms energy: -597.077265
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -139.906
flat angles C4'-P-C4' energy: -127.511
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -144.786
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: 9
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1716.953364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.953364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.953364 (E_RNA)
where:
Base-Base interactions energy: -1163.967
where: short stacking energy: -518.102
Base-Backbone interact. energy: 4.013
local terms energy: -556.999760
where:
bonds (distance) C4'-P energy: -112.592
bonds (distance) P-C4' energy: -118.205
flat angles C4'-P-C4' energy: -121.583
flat angles P-C4'-P energy: -84.278
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: 6
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1637.162859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.162859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.162859 (E_RNA)
where:
Base-Base interactions energy: -1105.936
where: short stacking energy: -483.085
Base-Backbone interact. energy: -0.734
local terms energy: -530.492275
where:
bonds (distance) C4'-P energy: -105.916
bonds (distance) P-C4' energy: -124.290
flat angles C4'-P-C4' energy: -106.115
flat angles P-C4'-P energy: -86.433
tors. eta vs tors. theta energy: -107.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1339.613158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.613158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.613158 (E_RNA)
where:
Base-Base interactions energy: -856.591
where: short stacking energy: -380.041
Base-Backbone interact. energy: -0.579
local terms energy: -482.443512
where:
bonds (distance) C4'-P energy: -120.274
bonds (distance) P-C4' energy: -128.224
flat angles C4'-P-C4' energy: -102.135
flat angles P-C4'-P energy: -71.777
tors. eta vs tors. theta energy: -60.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -1060.567288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.567288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.567288 (E_RNA)
where:
Base-Base interactions energy: -686.239
where: short stacking energy: -314.809
Base-Backbone interact. energy: -2.357
local terms energy: -371.971256
where:
bonds (distance) C4'-P energy: -101.916
bonds (distance) P-C4' energy: -97.247
flat angles C4'-P-C4' energy: -84.197
flat angles P-C4'-P energy: -45.717
tors. eta vs tors. theta energy: -42.893
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2507.777625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.777625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.777625 (E_RNA)
where:
Base-Base interactions energy: -1744.327
where: short stacking energy: -777.669
Base-Backbone interact. energy: -6.046
local terms energy: -757.404857
where:
bonds (distance) C4'-P energy: -129.917
bonds (distance) P-C4' energy: -146.917
flat angles C4'-P-C4' energy: -160.008
flat angles P-C4'-P energy: -107.247
tors. eta vs tors. theta energy: -213.315
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2434.008086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.008086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.008086 (E_RNA)
where:
Base-Base interactions energy: -1701.445
where: short stacking energy: -724.661
Base-Backbone interact. energy: -0.534
local terms energy: -732.029191
where:
bonds (distance) C4'-P energy: -132.407
bonds (distance) P-C4' energy: -138.811
flat angles C4'-P-C4' energy: -159.138
flat angles P-C4'-P energy: -108.553
tors. eta vs tors. theta energy: -193.121
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: 130
Temperature: 1.000000
Total energy: -2305.465019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.465019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.465019 (E_RNA)
where:
Base-Base interactions energy: -1611.142
where: short stacking energy: -714.955
Base-Backbone interact. energy: 4.512
local terms energy: -698.834291
where:
bonds (distance) C4'-P energy: -107.264
bonds (distance) P-C4' energy: -124.466
flat angles C4'-P-C4' energy: -154.826
flat angles P-C4'-P energy: -101.881
tors. eta vs tors. theta energy: -210.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2140.170678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.170678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.170678 (E_RNA)
where:
Base-Base interactions energy: -1450.166
where: short stacking energy: -637.352
Base-Backbone interact. energy: -1.254
local terms energy: -688.750419
where:
bonds (distance) C4'-P energy: -137.706
bonds (distance) P-C4' energy: -125.025
flat angles C4'-P-C4' energy: -141.881
flat angles P-C4'-P energy: -90.881
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: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -2058.005577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.005577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.005577 (E_RNA)
where:
Base-Base interactions energy: -1435.934
where: short stacking energy: -636.328
Base-Backbone interact. energy: -2.950
local terms energy: -619.121092
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -133.573
flat angles C4'-P-C4' energy: -140.097
flat angles P-C4'-P energy: -78.098
tors. eta vs tors. theta energy: -166.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1804.599378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.599378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.599378 (E_RNA)
where:
Base-Base interactions energy: -1198.144
where: short stacking energy: -512.409
Base-Backbone interact. energy: 0.451
local terms energy: -606.906663
where:
bonds (distance) C4'-P energy: -130.561
bonds (distance) P-C4' energy: -118.244
flat angles C4'-P-C4' energy: -141.062
flat angles P-C4'-P energy: -89.347
tors. eta vs tors. theta energy: -127.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1702.177380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.177380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.177380 (E_RNA)
where:
Base-Base interactions energy: -1139.897
where: short stacking energy: -497.921
Base-Backbone interact. energy: -3.252
local terms energy: -559.028176
where:
bonds (distance) C4'-P energy: -87.320
bonds (distance) P-C4' energy: -140.578
flat angles C4'-P-C4' energy: -141.644
flat angles P-C4'-P energy: -75.898
tors. eta vs tors. theta energy: -113.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1583.658073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.658073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.658073 (E_RNA)
where:
Base-Base interactions energy: -1027.932
where: short stacking energy: -437.434
Base-Backbone interact. energy: 0.783
local terms energy: -556.508705
where:
bonds (distance) C4'-P energy: -121.096
bonds (distance) P-C4' energy: -130.209
flat angles C4'-P-C4' energy: -127.573
flat angles P-C4'-P energy: -79.786
tors. eta vs tors. theta energy: -97.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1353.375141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.375141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.375141 (E_RNA)
where:
Base-Base interactions energy: -893.013
where: short stacking energy: -404.445
Base-Backbone interact. energy: 1.865
local terms energy: -462.227024
where:
bonds (distance) C4'-P energy: -107.902
bonds (distance) P-C4' energy: -109.083
flat angles C4'-P-C4' energy: -120.139
flat angles P-C4'-P energy: -59.505
tors. eta vs tors. theta energy: -65.597
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: 10, replica: 8
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1095.432132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.432132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.432132 (E_RNA)
where:
Base-Base interactions energy: -673.049
where: short stacking energy: -321.727
Base-Backbone interact. energy: -0.898
local terms energy: -421.485800
where:
bonds (distance) C4'-P energy: -101.454
bonds (distance) P-C4' energy: -114.092
flat angles C4'-P-C4' energy: -112.838
flat angles P-C4'-P energy: -62.894
tors. eta vs tors. theta energy: -30.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2497.081625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.081625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.081625 (E_RNA)
where:
Base-Base interactions energy: -1741.904
where: short stacking energy: -731.102
Base-Backbone interact. energy: -3.837
local terms energy: -751.340536
where:
bonds (distance) C4'-P energy: -132.475
bonds (distance) P-C4' energy: -131.980
flat angles C4'-P-C4' energy: -173.887
flat angles P-C4'-P energy: -100.678
tors. eta vs tors. theta energy: -212.321
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: 131
Temperature: 0.950000
Total energy: -2445.750826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.750826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.750826 (E_RNA)
where:
Base-Base interactions energy: -1722.319
where: short stacking energy: -766.733
Base-Backbone interact. energy: -0.776
local terms energy: -722.655831
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -127.195
flat angles C4'-P-C4' energy: -164.061
flat angles P-C4'-P energy: -99.760
tors. eta vs tors. theta energy: -208.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2312.614960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.614960 (E_RNA)
where:
Base-Base interactions energy: -1596.673
where: short stacking energy: -679.288
Base-Backbone interact. energy: 0.190
local terms energy: -716.131470
where:
bonds (distance) C4'-P energy: -141.100
bonds (distance) P-C4' energy: -123.274
flat angles C4'-P-C4' energy: -146.013
flat angles P-C4'-P energy: -103.364
tors. eta vs tors. theta energy: -202.382
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: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2153.381728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.381728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.381728 (E_RNA)
where:
Base-Base interactions energy: -1469.605
where: short stacking energy: -648.719
Base-Backbone interact. energy: 0.438
local terms energy: -684.214678
where:
bonds (distance) C4'-P energy: -108.136
bonds (distance) P-C4' energy: -146.953
flat angles C4'-P-C4' energy: -162.012
flat angles P-C4'-P energy: -83.730
tors. eta vs tors. theta energy: -183.384
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: 131
Temperature: 1.100000
Total energy: -2029.708169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.708169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.708169 (E_RNA)
where:
Base-Base interactions energy: -1391.555
where: short stacking energy: -617.413
Base-Backbone interact. energy: 4.236
local terms energy: -642.389659
where:
bonds (distance) C4'-P energy: -122.674
bonds (distance) P-C4' energy: -120.286
flat angles C4'-P-C4' energy: -137.264
flat angles P-C4'-P energy: -94.285
tors. eta vs tors. theta energy: -167.880
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1839.912811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.912811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.912811 (E_RNA)
where:
Base-Base interactions energy: -1248.701
where: short stacking energy: -567.465
Base-Backbone interact. energy: -1.827
local terms energy: -589.384381
where:
bonds (distance) C4'-P energy: -109.496
bonds (distance) P-C4' energy: -126.272
flat angles C4'-P-C4' energy: -126.358
flat angles P-C4'-P energy: -70.421
tors. eta vs tors. theta energy: -156.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1696.796791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.796791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.796791 (E_RNA)
where:
Base-Base interactions energy: -1144.749
where: short stacking energy: -482.690
Base-Backbone interact. energy: -1.779
local terms energy: -550.268252
where:
bonds (distance) C4'-P energy: -112.192
bonds (distance) P-C4' energy: -118.323
flat angles C4'-P-C4' energy: -137.463
flat angles P-C4'-P energy: -78.103
tors. eta vs tors. theta energy: -104.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1672.838173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.838173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.838173 (E_RNA)
where:
Base-Base interactions energy: -1143.261
where: short stacking energy: -501.062
Base-Backbone interact. energy: -0.346
local terms energy: -529.230963
where:
bonds (distance) C4'-P energy: -102.191
bonds (distance) P-C4' energy: -110.102
flat angles C4'-P-C4' energy: -125.783
flat angles P-C4'-P energy: -63.542
tors. eta vs tors. theta energy: -127.613
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: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1341.329072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.329072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.329072 (E_RNA)
where:
Base-Base interactions energy: -879.313
where: short stacking energy: -377.334
Base-Backbone interact. energy: -3.164
local terms energy: -458.852273
where:
bonds (distance) C4'-P energy: -112.291
bonds (distance) P-C4' energy: -99.803
flat angles C4'-P-C4' energy: -82.823
flat angles P-C4'-P energy: -91.661
tors. eta vs tors. theta energy: -72.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1087.985706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.985706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.985706 (E_RNA)
where:
Base-Base interactions energy: -644.093
where: short stacking energy: -324.351
Base-Backbone interact. energy: -0.478
local terms energy: -443.414555
where:
bonds (distance) C4'-P energy: -120.597
bonds (distance) P-C4' energy: -118.476
flat angles C4'-P-C4' energy: -106.030
flat angles P-C4'-P energy: -50.964
tors. eta vs tors. theta energy: -47.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2508.704539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.704539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.704539 (E_RNA)
where:
Base-Base interactions energy: -1755.274
where: short stacking energy: -758.000
Base-Backbone interact. energy: -5.583
local terms energy: -747.847933
where:
bonds (distance) C4'-P energy: -129.284
bonds (distance) P-C4' energy: -152.153
flat angles C4'-P-C4' energy: -152.853
flat angles P-C4'-P energy: -107.523
tors. eta vs tors. theta energy: -206.036
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: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2411.587375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.587375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.587375 (E_RNA)
where:
Base-Base interactions energy: -1673.371
where: short stacking energy: -731.293
Base-Backbone interact. energy: -2.566
local terms energy: -735.650072
where:
bonds (distance) C4'-P energy: -133.453
bonds (distance) P-C4' energy: -137.881
flat angles C4'-P-C4' energy: -152.139
flat angles P-C4'-P energy: -98.474
tors. eta vs tors. theta energy: -213.703
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: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2342.757106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.757106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.757106 (E_RNA)
where:
Base-Base interactions energy: -1607.996
where: short stacking energy: -694.809
Base-Backbone interact. energy: -0.837
local terms energy: -733.923887
where:
bonds (distance) C4'-P energy: -127.074
bonds (distance) P-C4' energy: -142.425
flat angles C4'-P-C4' energy: -157.167
flat angles P-C4'-P energy: -106.310
tors. eta vs tors. theta energy: -200.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2146.563433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.563433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.563433 (E_RNA)
where:
Base-Base interactions energy: -1458.499
where: short stacking energy: -637.105
Base-Backbone interact. energy: -4.032
local terms energy: -684.032590
where:
bonds (distance) C4'-P energy: -126.637
bonds (distance) P-C4' energy: -144.822
flat angles C4'-P-C4' energy: -143.454
flat angles P-C4'-P energy: -84.391
tors. eta vs tors. theta energy: -184.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2071.402843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.402843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.402843 (E_RNA)
where:
Base-Base interactions energy: -1432.908
where: short stacking energy: -648.392
Base-Backbone interact. energy: -3.048
local terms energy: -635.447327
where:
bonds (distance) C4'-P energy: -108.570
bonds (distance) P-C4' energy: -122.470
flat angles C4'-P-C4' energy: -151.717
flat angles P-C4'-P energy: -87.203
tors. eta vs tors. theta energy: -165.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1851.497860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.497860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.497860 (E_RNA)
where:
Base-Base interactions energy: -1256.193
where: short stacking energy: -548.897
Base-Backbone interact. energy: -1.732
local terms energy: -593.573145
where:
bonds (distance) C4'-P energy: -112.711
bonds (distance) P-C4' energy: -132.888
flat angles C4'-P-C4' energy: -138.010
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -140.209
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: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1756.727437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.727437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.727437 (E_RNA)
where:
Base-Base interactions energy: -1212.776
where: short stacking energy: -521.259
Base-Backbone interact. energy: -2.239
local terms energy: -541.712781
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -133.411
flat angles C4'-P-C4' energy: -122.420
flat angles P-C4'-P energy: -71.714
tors. eta vs tors. theta energy: -103.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1657.952478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.952478 (E_RNA)
where:
Base-Base interactions energy: -1140.878
where: short stacking energy: -518.175
Base-Backbone interact. energy: -1.301
local terms energy: -515.772676
where:
bonds (distance) C4'-P energy: -96.587
bonds (distance) P-C4' energy: -106.886
flat angles C4'-P-C4' energy: -114.530
flat angles P-C4'-P energy: -79.321
tors. eta vs tors. theta energy: -118.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -1388.247562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.247562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.247562 (E_RNA)
where:
Base-Base interactions energy: -896.489
where: short stacking energy: -407.084
Base-Backbone interact. energy: -1.037
local terms energy: -490.721661
where:
bonds (distance) C4'-P energy: -119.258
bonds (distance) P-C4' energy: -107.502
flat angles C4'-P-C4' energy: -113.680
flat angles P-C4'-P energy: -73.243
tors. eta vs tors. theta energy: -77.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1078.996943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.996943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.996943 (E_RNA)
where:
Base-Base interactions energy: -660.206
where: short stacking energy: -319.173
Base-Backbone interact. energy: -3.159
local terms energy: -415.632301
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -111.072
flat angles C4'-P-C4' energy: -109.178
flat angles P-C4'-P energy: -65.571
tors. eta vs tors. theta energy: -25.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2507.759327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.759327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.759327 (E_RNA)
where:
Base-Base interactions energy: -1747.167
where: short stacking energy: -760.560
Base-Backbone interact. energy: -2.536
local terms energy: -758.056724
where:
bonds (distance) C4'-P energy: -143.284
bonds (distance) P-C4' energy: -137.347
flat angles C4'-P-C4' energy: -155.857
flat angles P-C4'-P energy: -112.410
tors. eta vs tors. theta energy: -209.159
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: 133
Temperature: 0.950000
Total energy: -2405.284092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.284092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.284092 (E_RNA)
where:
Base-Base interactions energy: -1698.222
where: short stacking energy: -728.290
Base-Backbone interact. energy: 0.334
local terms energy: -707.396198
where:
bonds (distance) C4'-P energy: -126.950
bonds (distance) P-C4' energy: -120.965
flat angles C4'-P-C4' energy: -147.166
flat angles P-C4'-P energy: -106.172
tors. eta vs tors. theta energy: -206.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2302.209842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.209842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.209842 (E_RNA)
where:
Base-Base interactions energy: -1609.780
where: short stacking energy: -687.695
Base-Backbone interact. energy: -2.474
local terms energy: -689.954904
where:
bonds (distance) C4'-P energy: -127.403
bonds (distance) P-C4' energy: -120.494
flat angles C4'-P-C4' energy: -155.241
flat angles P-C4'-P energy: -91.328
tors. eta vs tors. theta energy: -195.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2077.904658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.904658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.904658 (E_RNA)
where:
Base-Base interactions energy: -1424.103
where: short stacking energy: -638.684
Base-Backbone interact. energy: -3.710
local terms energy: -650.091813
where:
bonds (distance) C4'-P energy: -116.876
bonds (distance) P-C4' energy: -113.755
flat angles C4'-P-C4' energy: -143.613
flat angles P-C4'-P energy: -100.579
tors. eta vs tors. theta energy: -175.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2073.349218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.349218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.349218 (E_RNA)
where:
Base-Base interactions energy: -1423.479
where: short stacking energy: -620.159
Base-Backbone interact. energy: -3.538
local terms energy: -646.332979
where:
bonds (distance) C4'-P energy: -123.583
bonds (distance) P-C4' energy: -123.960
flat angles C4'-P-C4' energy: -144.679
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -175.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1902.188305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.188305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.188305 (E_RNA)
where:
Base-Base interactions energy: -1330.341
where: short stacking energy: -575.806
Base-Backbone interact. energy: -3.512
local terms energy: -568.335487
where:
bonds (distance) C4'-P energy: -107.403
bonds (distance) P-C4' energy: -126.367
flat angles C4'-P-C4' energy: -123.478
flat angles P-C4'-P energy: -74.905
tors. eta vs tors. theta energy: -136.182
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: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1731.033888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.033888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.033888 (E_RNA)
where:
Base-Base interactions energy: -1163.273
where: short stacking energy: -508.734
Base-Backbone interact. energy: -1.866
local terms energy: -565.894330
where:
bonds (distance) C4'-P energy: -114.539
bonds (distance) P-C4' energy: -127.449
flat angles C4'-P-C4' energy: -121.275
flat angles P-C4'-P energy: -93.350
tors. eta vs tors. theta energy: -109.282
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: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1667.437322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.437322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.437322 (E_RNA)
where:
Base-Base interactions energy: -1121.986
where: short stacking energy: -463.222
Base-Backbone interact. energy: 0.794
local terms energy: -546.244862
where:
bonds (distance) C4'-P energy: -115.671
bonds (distance) P-C4' energy: -94.522
flat angles C4'-P-C4' energy: -127.262
flat angles P-C4'-P energy: -96.474
tors. eta vs tors. theta energy: -112.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -1333.572380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.572380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.572380 (E_RNA)
where:
Base-Base interactions energy: -862.111
where: short stacking energy: -396.975
Base-Backbone interact. energy: 2.795
local terms energy: -474.256545
where:
bonds (distance) C4'-P energy: -104.897
bonds (distance) P-C4' energy: -122.410
flat angles C4'-P-C4' energy: -116.048
flat angles P-C4'-P energy: -68.997
tors. eta vs tors. theta energy: -61.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1023.978917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.978917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.978917 (E_RNA)
where:
Base-Base interactions energy: -598.791
where: short stacking energy: -306.149
Base-Backbone interact. energy: 2.513
local terms energy: -427.700781
where:
bonds (distance) C4'-P energy: -107.188
bonds (distance) P-C4' energy: -112.627
flat angles C4'-P-C4' energy: -109.981
flat angles P-C4'-P energy: -58.073
tors. eta vs tors. theta energy: -39.831
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: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2490.914303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.914303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.914303 (E_RNA)
where:
Base-Base interactions energy: -1744.862
where: short stacking energy: -754.235
Base-Backbone interact. energy: -0.490
local terms energy: -745.561667
where:
bonds (distance) C4'-P energy: -122.078
bonds (distance) P-C4' energy: -134.929
flat angles C4'-P-C4' energy: -162.431
flat angles P-C4'-P energy: -112.173
tors. eta vs tors. theta energy: -213.951
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: 2
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2394.565468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.565468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.565468 (E_RNA)
where:
Base-Base interactions energy: -1656.776
where: short stacking energy: -724.363
Base-Backbone interact. energy: -2.515
local terms energy: -735.274681
where:
bonds (distance) C4'-P energy: -132.232
bonds (distance) P-C4' energy: -139.559
flat angles C4'-P-C4' energy: -157.683
flat angles P-C4'-P energy: -103.039
tors. eta vs tors. theta energy: -202.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2279.617911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.617911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.617911 (E_RNA)
where:
Base-Base interactions energy: -1555.898
where: short stacking energy: -681.573
Base-Backbone interact. energy: -2.374
local terms energy: -721.346203
where:
bonds (distance) C4'-P energy: -141.073
bonds (distance) P-C4' energy: -131.493
flat angles C4'-P-C4' energy: -149.020
flat angles P-C4'-P energy: -95.656
tors. eta vs tors. theta energy: -204.104
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: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2092.755164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.755164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.755164 (E_RNA)
where:
Base-Base interactions energy: -1439.580
where: short stacking energy: -639.118
Base-Backbone interact. energy: -0.055
local terms energy: -653.120323
where:
bonds (distance) C4'-P energy: -111.103
bonds (distance) P-C4' energy: -138.730
flat angles C4'-P-C4' energy: -147.694
flat angles P-C4'-P energy: -85.587
tors. eta vs tors. theta energy: -170.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2056.167843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.167843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.167843 (E_RNA)
where:
Base-Base interactions energy: -1426.726
where: short stacking energy: -624.399
Base-Backbone interact. energy: -2.504
local terms energy: -626.938379
where:
bonds (distance) C4'-P energy: -129.970
bonds (distance) P-C4' energy: -112.797
flat angles C4'-P-C4' energy: -138.717
flat angles P-C4'-P energy: -83.856
tors. eta vs tors. theta energy: -161.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1934.876412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.876412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.876412 (E_RNA)
where:
Base-Base interactions energy: -1317.530
where: short stacking energy: -566.938
Base-Backbone interact. energy: -0.270
local terms energy: -617.076762
where:
bonds (distance) C4'-P energy: -110.445
bonds (distance) P-C4' energy: -135.599
flat angles C4'-P-C4' energy: -147.894
flat angles P-C4'-P energy: -74.637
tors. eta vs tors. theta energy: -148.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1722.961890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.961890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.961890 (E_RNA)
where:
Base-Base interactions energy: -1160.069
where: short stacking energy: -489.649
Base-Backbone interact. energy: 0.872
local terms energy: -563.764690
where:
bonds (distance) C4'-P energy: -124.117
bonds (distance) P-C4' energy: -118.609
flat angles C4'-P-C4' energy: -131.854
flat angles P-C4'-P energy: -81.593
tors. eta vs tors. theta energy: -107.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1637.048537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.048537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.048537 (E_RNA)
where:
Base-Base interactions energy: -1105.975
where: short stacking energy: -494.029
Base-Backbone interact. energy: -0.073
local terms energy: -531.000485
where:
bonds (distance) C4'-P energy: -113.373
bonds (distance) P-C4' energy: -127.376
flat angles C4'-P-C4' energy: -117.064
flat angles P-C4'-P energy: -66.752
tors. eta vs tors. theta energy: -106.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1297.771318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.771318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.771318 (E_RNA)
where:
Base-Base interactions energy: -846.827
where: short stacking energy: -378.448
Base-Backbone interact. energy: 1.498
local terms energy: -452.442976
where:
bonds (distance) C4'-P energy: -98.965
bonds (distance) P-C4' energy: -106.728
flat angles C4'-P-C4' energy: -116.772
flat angles P-C4'-P energy: -70.804
tors. eta vs tors. theta energy: -59.174
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: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -1085.618327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.618327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.618327 (E_RNA)
where:
Base-Base interactions energy: -662.244
where: short stacking energy: -316.167
Base-Backbone interact. energy: -0.196
local terms energy: -423.177935
where:
bonds (distance) C4'-P energy: -114.188
bonds (distance) P-C4' energy: -105.411
flat angles C4'-P-C4' energy: -104.546
flat angles P-C4'-P energy: -66.479
tors. eta vs tors. theta energy: -32.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2494.284205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.284205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.284205 (E_RNA)
where:
Base-Base interactions energy: -1761.407
where: short stacking energy: -731.973
Base-Backbone interact. energy: -2.625
local terms energy: -730.251691
where:
bonds (distance) C4'-P energy: -137.125
bonds (distance) P-C4' energy: -132.686
flat angles C4'-P-C4' energy: -161.296
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -206.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2389.596592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.596592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.596592 (E_RNA)
where:
Base-Base interactions energy: -1696.180
where: short stacking energy: -728.277
Base-Backbone interact. energy: -0.229
local terms energy: -693.188411
where:
bonds (distance) C4'-P energy: -116.326
bonds (distance) P-C4' energy: -131.702
flat angles C4'-P-C4' energy: -152.020
flat angles P-C4'-P energy: -99.701
tors. eta vs tors. theta energy: -193.440
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: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2287.652246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.652246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.652246 (E_RNA)
where:
Base-Base interactions energy: -1587.346
where: short stacking energy: -695.244
Base-Backbone interact. energy: -4.062
local terms energy: -696.243736
where:
bonds (distance) C4'-P energy: -123.212
bonds (distance) P-C4' energy: -130.314
flat angles C4'-P-C4' energy: -144.198
flat angles P-C4'-P energy: -91.064
tors. eta vs tors. theta energy: -207.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2098.289963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.289963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.289963 (E_RNA)
where:
Base-Base interactions energy: -1437.044
where: short stacking energy: -628.639
Base-Backbone interact. energy: -2.003
local terms energy: -659.243027
where:
bonds (distance) C4'-P energy: -126.913
bonds (distance) P-C4' energy: -132.204
flat angles C4'-P-C4' energy: -151.418
flat angles P-C4'-P energy: -91.033
tors. eta vs tors. theta energy: -157.675
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: 10
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2101.625058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.625058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.625058 (E_RNA)
where:
Base-Base interactions energy: -1448.848
where: short stacking energy: -639.378
Base-Backbone interact. energy: -1.678
local terms energy: -651.099406
where:
bonds (distance) C4'-P energy: -110.110
bonds (distance) P-C4' energy: -120.506
flat angles C4'-P-C4' energy: -151.950
flat angles P-C4'-P energy: -91.442
tors. eta vs tors. theta energy: -177.091
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: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1952.988228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.988228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.988228 (E_RNA)
where:
Base-Base interactions energy: -1326.315
where: short stacking energy: -597.179
Base-Backbone interact. energy: -2.949
local terms energy: -623.724107
where:
bonds (distance) C4'-P energy: -105.341
bonds (distance) P-C4' energy: -122.814
flat angles C4'-P-C4' energy: -146.371
flat angles P-C4'-P energy: -87.833
tors. eta vs tors. theta energy: -161.365
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: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1800.291705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.291705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.291705 (E_RNA)
where:
Base-Base interactions energy: -1217.956
where: short stacking energy: -541.391
Base-Backbone interact. energy: -0.323
local terms energy: -582.012753
where:
bonds (distance) C4'-P energy: -98.125
bonds (distance) P-C4' energy: -133.187
flat angles C4'-P-C4' energy: -130.934
flat angles P-C4'-P energy: -93.830
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: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1672.626782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.626782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.626782 (E_RNA)
where:
Base-Base interactions energy: -1114.009
where: short stacking energy: -487.079
Base-Backbone interact. energy: -0.894
local terms energy: -557.724302
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -135.487
flat angles C4'-P-C4' energy: -115.547
flat angles P-C4'-P energy: -79.310
tors. eta vs tors. theta energy: -119.847
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: 1
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1316.406361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.406361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.406361 (E_RNA)
where:
Base-Base interactions energy: -820.928
where: short stacking energy: -382.016
Base-Backbone interact. energy: -1.122
local terms energy: -494.356174
where:
bonds (distance) C4'-P energy: -114.273
bonds (distance) P-C4' energy: -126.290
flat angles C4'-P-C4' energy: -115.093
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -57.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1111.238737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.238737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.238737 (E_RNA)
where:
Base-Base interactions energy: -693.121
where: short stacking energy: -326.319
Base-Backbone interact. energy: 7.394
local terms energy: -425.510937
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -104.316
flat angles C4'-P-C4' energy: -113.075
flat angles P-C4'-P energy: -74.994
tors. eta vs tors. theta energy: -36.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2495.502265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.502265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.502265 (E_RNA)
where:
Base-Base interactions energy: -1739.666
where: short stacking energy: -763.216
Base-Backbone interact. energy: 6.792
local terms energy: -762.628631
where:
bonds (distance) C4'-P energy: -127.573
bonds (distance) P-C4' energy: -145.634
flat angles C4'-P-C4' energy: -169.364
flat angles P-C4'-P energy: -108.862
tors. eta vs tors. theta energy: -211.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2443.575403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.575403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.575403 (E_RNA)
where:
Base-Base interactions energy: -1710.112
where: short stacking energy: -737.720
Base-Backbone interact. energy: -5.465
local terms energy: -727.998382
where:
bonds (distance) C4'-P energy: -117.847
bonds (distance) P-C4' energy: -148.886
flat angles C4'-P-C4' energy: -160.425
flat angles P-C4'-P energy: -99.565
tors. eta vs tors. theta energy: -201.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2277.837178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.837178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.837178 (E_RNA)
where:
Base-Base interactions energy: -1574.981
where: short stacking energy: -698.575
Base-Backbone interact. energy: -0.961
local terms energy: -701.895989
where:
bonds (distance) C4'-P energy: -134.444
bonds (distance) P-C4' energy: -118.099
flat angles C4'-P-C4' energy: -152.598
flat angles P-C4'-P energy: -99.555
tors. eta vs tors. theta energy: -197.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2189.702059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.702059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.702059 (E_RNA)
where:
Base-Base interactions energy: -1495.138
where: short stacking energy: -658.292
Base-Backbone interact. energy: -0.481
local terms energy: -694.083130
where:
bonds (distance) C4'-P energy: -127.257
bonds (distance) P-C4' energy: -135.557
flat angles C4'-P-C4' energy: -157.683
flat angles P-C4'-P energy: -94.754
tors. eta vs tors. theta energy: -178.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2032.609926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.609926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.609926 (E_RNA)
where:
Base-Base interactions energy: -1399.154
where: short stacking energy: -621.737
Base-Backbone interact. energy: -0.456
local terms energy: -633.000527
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -135.170
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -80.512
tors. eta vs tors. theta energy: -160.589
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: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1883.247353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.247353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.247353 (E_RNA)
where:
Base-Base interactions energy: -1302.399
where: short stacking energy: -571.086
Base-Backbone interact. energy: 0.175
local terms energy: -581.022887
where:
bonds (distance) C4'-P energy: -104.856
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -128.763
flat angles P-C4'-P energy: -78.994
tors. eta vs tors. theta energy: -144.185
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: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1794.458175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.458175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.458175 (E_RNA)
where:
Base-Base interactions energy: -1233.558
where: short stacking energy: -559.071
Base-Backbone interact. energy: -0.336
local terms energy: -560.564132
where:
bonds (distance) C4'-P energy: -109.753
bonds (distance) P-C4' energy: -124.918
flat angles C4'-P-C4' energy: -133.486
flat angles P-C4'-P energy: -65.717
tors. eta vs tors. theta energy: -126.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1649.368138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.368138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.368138 (E_RNA)
where:
Base-Base interactions energy: -1100.032
where: short stacking energy: -460.695
Base-Backbone interact. energy: -4.303
local terms energy: -545.032773
where:
bonds (distance) C4'-P energy: -118.219
bonds (distance) P-C4' energy: -134.126
flat angles C4'-P-C4' energy: -116.470
flat angles P-C4'-P energy: -81.561
tors. eta vs tors. theta energy: -94.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1335.111378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.111378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.111378 (E_RNA)
where:
Base-Base interactions energy: -874.780
where: short stacking energy: -404.077
Base-Backbone interact. energy: -0.942
local terms energy: -459.389594
where:
bonds (distance) C4'-P energy: -113.270
bonds (distance) P-C4' energy: -109.719
flat angles C4'-P-C4' energy: -104.158
flat angles P-C4'-P energy: -75.302
tors. eta vs tors. theta energy: -56.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1095.383340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.383340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.383340 (E_RNA)
where:
Base-Base interactions energy: -693.182
where: short stacking energy: -314.640
Base-Backbone interact. energy: -2.770
local terms energy: -399.431661
where:
bonds (distance) C4'-P energy: -116.623
bonds (distance) P-C4' energy: -89.346
flat angles C4'-P-C4' energy: -98.934
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -27.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2524.286758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.286758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.286758 (E_RNA)
where:
Base-Base interactions energy: -1765.237
where: short stacking energy: -764.713
Base-Backbone interact. energy: -1.562
local terms energy: -757.488005
where:
bonds (distance) C4'-P energy: -138.459
bonds (distance) P-C4' energy: -134.689
flat angles C4'-P-C4' energy: -156.258
flat angles P-C4'-P energy: -111.997
tors. eta vs tors. theta energy: -216.085
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2483.248086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.248086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.248086 (E_RNA)
where:
Base-Base interactions energy: -1756.382
where: short stacking energy: -710.247
Base-Backbone interact. energy: -2.533
local terms energy: -724.332837
where:
bonds (distance) C4'-P energy: -131.885
bonds (distance) P-C4' energy: -140.813
flat angles C4'-P-C4' energy: -153.883
flat angles P-C4'-P energy: -99.588
tors. eta vs tors. theta energy: -198.165
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: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2292.175774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.175774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.175774 (E_RNA)
where:
Base-Base interactions energy: -1571.056
where: short stacking energy: -682.816
Base-Backbone interact. energy: -4.571
local terms energy: -716.549257
where:
bonds (distance) C4'-P energy: -137.284
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -147.715
flat angles P-C4'-P energy: -94.061
tors. eta vs tors. theta energy: -205.209
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: 137
Temperature: 1.050000
Total energy: -2136.598464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.598464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.598464 (E_RNA)
where:
Base-Base interactions energy: -1486.523
where: short stacking energy: -672.719
Base-Backbone interact. energy: -1.165
local terms energy: -648.910741
where:
bonds (distance) C4'-P energy: -119.606
bonds (distance) P-C4' energy: -99.104
flat angles C4'-P-C4' energy: -148.304
flat angles P-C4'-P energy: -99.692
tors. eta vs tors. theta energy: -182.205
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: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -2030.071788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.071788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.071788 (E_RNA)
where:
Base-Base interactions energy: -1382.356
where: short stacking energy: -633.065
Base-Backbone interact. energy: 1.487
local terms energy: -649.202577
where:
bonds (distance) C4'-P energy: -127.934
bonds (distance) P-C4' energy: -125.436
flat angles C4'-P-C4' energy: -146.300
flat angles P-C4'-P energy: -90.056
tors. eta vs tors. theta energy: -159.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1907.862048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.862048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.862048 (E_RNA)
where:
Base-Base interactions energy: -1327.849
where: short stacking energy: -570.867
Base-Backbone interact. energy: 1.689
local terms energy: -581.702046
where:
bonds (distance) C4'-P energy: -117.294
bonds (distance) P-C4' energy: -111.363
flat angles C4'-P-C4' energy: -117.102
flat angles P-C4'-P energy: -84.656
tors. eta vs tors. theta energy: -151.287
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: 7, replica: 6
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1771.874785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.874785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.874785 (E_RNA)
where:
Base-Base interactions energy: -1205.228
where: short stacking energy: -541.992
Base-Backbone interact. energy: -0.969
local terms energy: -565.678011
where:
bonds (distance) C4'-P energy: -105.079
bonds (distance) P-C4' energy: -121.885
flat angles C4'-P-C4' energy: -140.085
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -132.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1685.613666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.613666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.613666 (E_RNA)
where:
Base-Base interactions energy: -1188.483
where: short stacking energy: -479.439
Base-Backbone interact. energy: -1.752
local terms energy: -495.378679
where:
bonds (distance) C4'-P energy: -103.635
bonds (distance) P-C4' energy: -106.057
flat angles C4'-P-C4' energy: -114.313
flat angles P-C4'-P energy: -74.015
tors. eta vs tors. theta energy: -97.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1330.593980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.593980 (E_RNA)
where:
Base-Base interactions energy: -886.442
where: short stacking energy: -385.212
Base-Backbone interact. energy: 0.143
local terms energy: -444.294718
where:
bonds (distance) C4'-P energy: -108.572
bonds (distance) P-C4' energy: -89.572
flat angles C4'-P-C4' energy: -124.633
flat angles P-C4'-P energy: -69.797
tors. eta vs tors. theta energy: -51.721
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: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1141.015377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.015377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.015377 (E_RNA)
where:
Base-Base interactions energy: -738.408
where: short stacking energy: -361.900
Base-Backbone interact. energy: -3.770
local terms energy: -398.837080
where:
bonds (distance) C4'-P energy: -97.374
bonds (distance) P-C4' energy: -85.476
flat angles C4'-P-C4' energy: -104.071
flat angles P-C4'-P energy: -68.385
tors. eta vs tors. theta energy: -43.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2529.118248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.118248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.118248 (E_RNA)
where:
Base-Base interactions energy: -1754.384
where: short stacking energy: -752.029
Base-Backbone interact. energy: -2.032
local terms energy: -772.702326
where:
bonds (distance) C4'-P energy: -131.596
bonds (distance) P-C4' energy: -146.452
flat angles C4'-P-C4' energy: -177.819
flat angles P-C4'-P energy: -110.447
tors. eta vs tors. theta energy: -206.389
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: 138
Temperature: 0.950000
Total energy: -2471.734403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.734403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.734403 (E_RNA)
where:
Base-Base interactions energy: -1755.487
where: short stacking energy: -735.626
Base-Backbone interact. energy: 0.770
local terms energy: -717.016987
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -127.516
flat angles C4'-P-C4' energy: -150.836
flat angles P-C4'-P energy: -98.896
tors. eta vs tors. theta energy: -204.752
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: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2289.999988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.999988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.999988 (E_RNA)
where:
Base-Base interactions energy: -1595.073
where: short stacking energy: -712.878
Base-Backbone interact. energy: -3.993
local terms energy: -690.934229
where:
bonds (distance) C4'-P energy: -132.706
bonds (distance) P-C4' energy: -126.643
flat angles C4'-P-C4' energy: -152.046
flat angles P-C4'-P energy: -75.634
tors. eta vs tors. theta energy: -203.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2156.191865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.191865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.191865 (E_RNA)
where:
Base-Base interactions energy: -1480.007
where: short stacking energy: -642.574
Base-Backbone interact. energy: 1.484
local terms energy: -677.668263
where:
bonds (distance) C4'-P energy: -129.797
bonds (distance) P-C4' energy: -144.450
flat angles C4'-P-C4' energy: -144.453
flat angles P-C4'-P energy: -87.813
tors. eta vs tors. theta energy: -171.155
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: 5, replica: 10
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -2015.644869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.644869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.644869 (E_RNA)
where:
Base-Base interactions energy: -1374.753
where: short stacking energy: -639.971
Base-Backbone interact. energy: -0.786
local terms energy: -640.105774
where:
bonds (distance) C4'-P energy: -110.482
bonds (distance) P-C4' energy: -136.965
flat angles C4'-P-C4' energy: -143.096
flat angles P-C4'-P energy: -82.245
tors. eta vs tors. theta energy: -167.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1888.108114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.108114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.108114 (E_RNA)
where:
Base-Base interactions energy: -1294.823
where: short stacking energy: -551.586
Base-Backbone interact. energy: 1.940
local terms energy: -595.224867
where:
bonds (distance) C4'-P energy: -122.137
bonds (distance) P-C4' energy: -123.627
flat angles C4'-P-C4' energy: -131.851
flat angles P-C4'-P energy: -70.675
tors. eta vs tors. theta energy: -146.934
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: 138
Temperature: 1.200000
Total energy: -1784.559574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.559574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.559574 (E_RNA)
where:
Base-Base interactions energy: -1227.668
where: short stacking energy: -518.807
Base-Backbone interact. energy: 0.568
local terms energy: -557.460436
where:
bonds (distance) C4'-P energy: -131.932
bonds (distance) P-C4' energy: -101.240
flat angles C4'-P-C4' energy: -120.439
flat angles P-C4'-P energy: -76.730
tors. eta vs tors. theta energy: -127.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1645.316865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.316865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.316865 (E_RNA)
where:
Base-Base interactions energy: -1126.038
where: short stacking energy: -453.886
Base-Backbone interact. energy: -2.452
local terms energy: -516.826524
where:
bonds (distance) C4'-P energy: -100.919
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -130.207
flat angles P-C4'-P energy: -88.045
tors. eta vs tors. theta energy: -90.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1366.540499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.540499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.540499 (E_RNA)
where:
Base-Base interactions energy: -907.638
where: short stacking energy: -394.990
Base-Backbone interact. energy: 3.927
local terms energy: -462.830050
where:
bonds (distance) C4'-P energy: -106.546
bonds (distance) P-C4' energy: -106.404
flat angles C4'-P-C4' energy: -121.706
flat angles P-C4'-P energy: -63.029
tors. eta vs tors. theta energy: -65.145
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: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1114.376536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.376536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.376536 (E_RNA)
where:
Base-Base interactions energy: -683.065
where: short stacking energy: -319.733
Base-Backbone interact. energy: 4.958
local terms energy: -436.269787
where:
bonds (distance) C4'-P energy: -125.443
bonds (distance) P-C4' energy: -111.067
flat angles C4'-P-C4' energy: -106.189
flat angles P-C4'-P energy: -66.814
tors. eta vs tors. theta energy: -26.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2491.363614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.363614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.363614 (E_RNA)
where:
Base-Base interactions energy: -1748.862
where: short stacking energy: -740.519
Base-Backbone interact. energy: -4.312
local terms energy: -738.189517
where:
bonds (distance) C4'-P energy: -143.420
bonds (distance) P-C4' energy: -138.000
flat angles C4'-P-C4' energy: -151.178
flat angles P-C4'-P energy: -96.831
tors. eta vs tors. theta energy: -208.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2429.978843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.978843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.978843 (E_RNA)
where:
Base-Base interactions energy: -1712.255
where: short stacking energy: -706.430
Base-Backbone interact. energy: -3.637
local terms energy: -714.087347
where:
bonds (distance) C4'-P energy: -126.627
bonds (distance) P-C4' energy: -141.518
flat angles C4'-P-C4' energy: -150.499
flat angles P-C4'-P energy: -94.266
tors. eta vs tors. theta energy: -201.177
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2312.795198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.795198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.795198 (E_RNA)
where:
Base-Base interactions energy: -1605.815
where: short stacking energy: -711.057
Base-Backbone interact. energy: -2.220
local terms energy: -704.761143
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -120.746
flat angles C4'-P-C4' energy: -149.439
flat angles P-C4'-P energy: -106.830
tors. eta vs tors. theta energy: -214.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2125.430266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.430266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.430266 (E_RNA)
where:
Base-Base interactions energy: -1484.737
where: short stacking energy: -635.352
Base-Backbone interact. energy: -1.121
local terms energy: -639.572931
where:
bonds (distance) C4'-P energy: -124.167
bonds (distance) P-C4' energy: -127.205
flat angles C4'-P-C4' energy: -135.248
flat angles P-C4'-P energy: -92.672
tors. eta vs tors. theta energy: -160.281
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: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -2051.807672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.807672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.807672 (E_RNA)
where:
Base-Base interactions energy: -1381.168
where: short stacking energy: -621.145
Base-Backbone interact. energy: -2.735
local terms energy: -667.905226
where:
bonds (distance) C4'-P energy: -125.904
bonds (distance) P-C4' energy: -132.633
flat angles C4'-P-C4' energy: -136.050
flat angles P-C4'-P energy: -104.686
tors. eta vs tors. theta energy: -168.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1885.918088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.918088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.918088 (E_RNA)
where:
Base-Base interactions energy: -1297.669
where: short stacking energy: -572.618
Base-Backbone interact. energy: -1.512
local terms energy: -586.736867
where:
bonds (distance) C4'-P energy: -115.041
bonds (distance) P-C4' energy: -123.544
flat angles C4'-P-C4' energy: -128.890
flat angles P-C4'-P energy: -84.076
tors. eta vs tors. theta energy: -135.185
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: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1807.534758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.534758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.534758 (E_RNA)
where:
Base-Base interactions energy: -1271.796
where: short stacking energy: -534.713
Base-Backbone interact. energy: -1.691
local terms energy: -534.047739
where:
bonds (distance) C4'-P energy: -121.777
bonds (distance) P-C4' energy: -114.633
flat angles C4'-P-C4' energy: -108.904
flat angles P-C4'-P energy: -75.312
tors. eta vs tors. theta energy: -113.422
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: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1621.753419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.753419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.753419 (E_RNA)
where:
Base-Base interactions energy: -1091.108
where: short stacking energy: -459.928
Base-Backbone interact. energy: 2.674
local terms energy: -533.319041
where:
bonds (distance) C4'-P energy: -114.109
bonds (distance) P-C4' energy: -118.133
flat angles C4'-P-C4' energy: -122.579
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -103.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1388.693000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.693000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.693000 (E_RNA)
where:
Base-Base interactions energy: -929.062
where: short stacking energy: -381.428
Base-Backbone interact. energy: -1.463
local terms energy: -458.167802
where:
bonds (distance) C4'-P energy: -104.617
bonds (distance) P-C4' energy: -118.494
flat angles C4'-P-C4' energy: -113.942
flat angles P-C4'-P energy: -62.509
tors. eta vs tors. theta energy: -58.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1102.335365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.335365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.335365 (E_RNA)
where:
Base-Base interactions energy: -680.225
where: short stacking energy: -347.853
Base-Backbone interact. energy: -2.624
local terms energy: -419.485915
where:
bonds (distance) C4'-P energy: -97.393
bonds (distance) P-C4' energy: -110.031
flat angles C4'-P-C4' energy: -98.235
flat angles P-C4'-P energy: -55.647
tors. eta vs tors. theta energy: -58.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2492.033412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.033412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.033412 (E_RNA)
where:
Base-Base interactions energy: -1763.185
where: short stacking energy: -729.208
Base-Backbone interact. energy: -2.155
local terms energy: -726.694060
where:
bonds (distance) C4'-P energy: -122.005
bonds (distance) P-C4' energy: -135.760
flat angles C4'-P-C4' energy: -159.002
flat angles P-C4'-P energy: -105.732
tors. eta vs tors. theta energy: -204.194
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: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2457.384714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.384714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.384714 (E_RNA)
where:
Base-Base interactions energy: -1716.087
where: short stacking energy: -726.746
Base-Backbone interact. energy: -5.204
local terms energy: -736.093797
where:
bonds (distance) C4'-P energy: -141.748
bonds (distance) P-C4' energy: -136.537
flat angles C4'-P-C4' energy: -158.073
flat angles P-C4'-P energy: -104.857
tors. eta vs tors. theta energy: -194.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2309.212567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.212567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.212567 (E_RNA)
where:
Base-Base interactions energy: -1594.418
where: short stacking energy: -735.439
Base-Backbone interact. energy: -3.791
local terms energy: -711.003281
where:
bonds (distance) C4'-P energy: -129.324
bonds (distance) P-C4' energy: -124.254
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -94.280
tors. eta vs tors. theta energy: -212.750
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: 4
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2137.460653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.460653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.460653 (E_RNA)
where:
Base-Base interactions energy: -1487.053
where: short stacking energy: -634.558
Base-Backbone interact. energy: -3.266
local terms energy: -647.141232
where:
bonds (distance) C4'-P energy: -117.271
bonds (distance) P-C4' energy: -133.511
flat angles C4'-P-C4' energy: -142.954
flat angles P-C4'-P energy: -76.917
tors. eta vs tors. theta energy: -176.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1992.898756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.898756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.898756 (E_RNA)
where:
Base-Base interactions energy: -1387.566
where: short stacking energy: -599.960
Base-Backbone interact. energy: -1.813
local terms energy: -603.519033
where:
bonds (distance) C4'-P energy: -112.345
bonds (distance) P-C4' energy: -112.366
flat angles C4'-P-C4' energy: -132.921
flat angles P-C4'-P energy: -77.346
tors. eta vs tors. theta energy: -168.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1900.527273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.527273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.527273 (E_RNA)
where:
Base-Base interactions energy: -1330.268
where: short stacking energy: -547.603
Base-Backbone interact. energy: -0.277
local terms energy: -569.981930
where:
bonds (distance) C4'-P energy: -114.410
bonds (distance) P-C4' energy: -118.814
flat angles C4'-P-C4' energy: -118.074
flat angles P-C4'-P energy: -84.370
tors. eta vs tors. theta energy: -134.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1671.949545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.949545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.949545 (E_RNA)
where:
Base-Base interactions energy: -1101.575
where: short stacking energy: -500.602
Base-Backbone interact. energy: -1.005
local terms energy: -569.369399
where:
bonds (distance) C4'-P energy: -111.318
bonds (distance) P-C4' energy: -130.975
flat angles C4'-P-C4' energy: -132.077
flat angles P-C4'-P energy: -80.371
tors. eta vs tors. theta energy: -114.628
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: 140
Temperature: 1.250000
Total energy: -1585.626107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.626107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.626107 (E_RNA)
where:
Base-Base interactions energy: -1051.903
where: short stacking energy: -461.432
Base-Backbone interact. energy: -0.026
local terms energy: -533.697570
where:
bonds (distance) C4'-P energy: -107.864
bonds (distance) P-C4' energy: -119.295
flat angles C4'-P-C4' energy: -125.615
flat angles P-C4'-P energy: -71.926
tors. eta vs tors. theta energy: -108.998
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: 140
Temperature: 1.300000
Total energy: -1314.396262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.396262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.396262 (E_RNA)
where:
Base-Base interactions energy: -853.888
where: short stacking energy: -393.334
Base-Backbone interact. energy: -0.030
local terms energy: -460.477820
where:
bonds (distance) C4'-P energy: -102.316
bonds (distance) P-C4' energy: -105.684
flat angles C4'-P-C4' energy: -118.995
flat angles P-C4'-P energy: -74.336
tors. eta vs tors. theta energy: -59.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -1104.278981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.278981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.278981 (E_RNA)
where:
Base-Base interactions energy: -667.247
where: short stacking energy: -303.388
Base-Backbone interact. energy: -0.237
local terms energy: -436.794571
where:
bonds (distance) C4'-P energy: -114.920
bonds (distance) P-C4' energy: -131.693
flat angles C4'-P-C4' energy: -106.041
flat angles P-C4'-P energy: -54.315
tors. eta vs tors. theta energy: -29.825
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: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2534.341681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.341681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.341681 (E_RNA)
where:
Base-Base interactions energy: -1777.099
where: short stacking energy: -744.756
Base-Backbone interact. energy: -4.079
local terms energy: -753.164058
where:
bonds (distance) C4'-P energy: -138.817
bonds (distance) P-C4' energy: -139.367
flat angles C4'-P-C4' energy: -152.206
flat angles P-C4'-P energy: -116.270
tors. eta vs tors. theta energy: -206.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2446.473543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.473543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.473543 (E_RNA)
where:
Base-Base interactions energy: -1743.859
where: short stacking energy: -742.021
Base-Backbone interact. energy: -1.629
local terms energy: -700.985663
where:
bonds (distance) C4'-P energy: -123.015
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -148.034
flat angles P-C4'-P energy: -99.131
tors. eta vs tors. theta energy: -194.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2309.899360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.899360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.899360 (E_RNA)
where:
Base-Base interactions energy: -1612.942
where: short stacking energy: -698.388
Base-Backbone interact. energy: -0.731
local terms energy: -696.226691
where:
bonds (distance) C4'-P energy: -126.792
bonds (distance) P-C4' energy: -117.883
flat angles C4'-P-C4' energy: -149.618
flat angles P-C4'-P energy: -101.966
tors. eta vs tors. theta energy: -199.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2156.758075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.758075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.758075 (E_RNA)
where:
Base-Base interactions energy: -1502.461
where: short stacking energy: -654.726
Base-Backbone interact. energy: 2.457
local terms energy: -656.754708
where:
bonds (distance) C4'-P energy: -123.018
bonds (distance) P-C4' energy: -134.332
flat angles C4'-P-C4' energy: -140.161
flat angles P-C4'-P energy: -100.683
tors. eta vs tors. theta energy: -158.561
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: 141
Temperature: 1.100000
Total energy: -2037.615930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.615930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.615930 (E_RNA)
where:
Base-Base interactions energy: -1385.851
where: short stacking energy: -644.019
Base-Backbone interact. energy: -1.952
local terms energy: -649.813203
where:
bonds (distance) C4'-P energy: -112.465
bonds (distance) P-C4' energy: -131.457
flat angles C4'-P-C4' energy: -145.144
flat angles P-C4'-P energy: -90.182
tors. eta vs tors. theta energy: -170.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1879.683164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.683164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.683164 (E_RNA)
where:
Base-Base interactions energy: -1281.172
where: short stacking energy: -530.974
Base-Backbone interact. energy: -3.297
local terms energy: -595.214025
where:
bonds (distance) C4'-P energy: -135.733
bonds (distance) P-C4' energy: -117.275
flat angles C4'-P-C4' energy: -138.920
flat angles P-C4'-P energy: -77.920
tors. eta vs tors. theta energy: -125.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1865.599360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.599360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.599360 (E_RNA)
where:
Base-Base interactions energy: -1308.001
where: short stacking energy: -559.974
Base-Backbone interact. energy: 1.490
local terms energy: -559.088074
where:
bonds (distance) C4'-P energy: -119.113
bonds (distance) P-C4' energy: -114.869
flat angles C4'-P-C4' energy: -123.057
flat angles P-C4'-P energy: -73.969
tors. eta vs tors. theta energy: -128.079
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: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1489.314066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.314066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.314066 (E_RNA)
where:
Base-Base interactions energy: -987.576
where: short stacking energy: -419.256
Base-Backbone interact. energy: -0.548
local terms energy: -501.190233
where:
bonds (distance) C4'-P energy: -114.452
bonds (distance) P-C4' energy: -114.115
flat angles C4'-P-C4' energy: -127.630
flat angles P-C4'-P energy: -75.486
tors. eta vs tors. theta energy: -69.507
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1352.155815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.155815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.155815 (E_RNA)
where:
Base-Base interactions energy: -874.263
where: short stacking energy: -405.749
Base-Backbone interact. energy: -0.454
local terms energy: -477.438912
where:
bonds (distance) C4'-P energy: -112.249
bonds (distance) P-C4' energy: -115.870
flat angles C4'-P-C4' energy: -107.908
flat angles P-C4'-P energy: -82.939
tors. eta vs tors. theta energy: -58.474
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: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -1057.686816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.686816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.686816 (E_RNA)
where:
Base-Base interactions energy: -648.751
where: short stacking energy: -331.774
Base-Backbone interact. energy: 8.277
local terms energy: -417.212204
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -85.946
flat angles C4'-P-C4' energy: -101.179
flat angles P-C4'-P energy: -58.205
tors. eta vs tors. theta energy: -57.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2545.241226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.241226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.241226 (E_RNA)
where:
Base-Base interactions energy: -1794.904
where: short stacking energy: -768.714
Base-Backbone interact. energy: -1.386
local terms energy: -748.950651
where:
bonds (distance) C4'-P energy: -137.353
bonds (distance) P-C4' energy: -135.087
flat angles C4'-P-C4' energy: -157.389
flat angles P-C4'-P energy: -111.678
tors. eta vs tors. theta energy: -207.443
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: 2, replica: 2
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2492.119453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.119453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.119453 (E_RNA)
where:
Base-Base interactions energy: -1753.173
where: short stacking energy: -731.360
Base-Backbone interact. energy: -1.488
local terms energy: -737.458438
where:
bonds (distance) C4'-P energy: -129.336
bonds (distance) P-C4' energy: -125.891
flat angles C4'-P-C4' energy: -166.798
flat angles P-C4'-P energy: -113.112
tors. eta vs tors. theta energy: -202.321
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: 142
Temperature: 1.000000
Total energy: -2309.125001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.125001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.125001 (E_RNA)
where:
Base-Base interactions energy: -1598.004
where: short stacking energy: -707.111
Base-Backbone interact. energy: 2.408
local terms energy: -713.528538
where:
bonds (distance) C4'-P energy: -126.604
bonds (distance) P-C4' energy: -137.824
flat angles C4'-P-C4' energy: -146.642
flat angles P-C4'-P energy: -101.035
tors. eta vs tors. theta energy: -201.423
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: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2202.886001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.886001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.886001 (E_RNA)
where:
Base-Base interactions energy: -1518.697
where: short stacking energy: -671.586
Base-Backbone interact. energy: -3.071
local terms energy: -681.118129
where:
bonds (distance) C4'-P energy: -122.175
bonds (distance) P-C4' energy: -124.435
flat angles C4'-P-C4' energy: -156.316
flat angles P-C4'-P energy: -96.371
tors. eta vs tors. theta energy: -181.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -2085.921821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.921821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.921821 (E_RNA)
where:
Base-Base interactions energy: -1430.470
where: short stacking energy: -655.198
Base-Backbone interact. energy: -1.766
local terms energy: -653.686000
where:
bonds (distance) C4'-P energy: -134.289
bonds (distance) P-C4' energy: -119.047
flat angles C4'-P-C4' energy: -146.057
flat angles P-C4'-P energy: -75.412
tors. eta vs tors. theta energy: -178.880
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: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1932.810925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.810925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.810925 (E_RNA)
where:
Base-Base interactions energy: -1325.728
where: short stacking energy: -556.697
Base-Backbone interact. energy: -2.310
local terms energy: -604.772926
where:
bonds (distance) C4'-P energy: -121.348
bonds (distance) P-C4' energy: -106.098
flat angles C4'-P-C4' energy: -140.461
flat angles P-C4'-P energy: -97.575
tors. eta vs tors. theta energy: -139.291
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: 3
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1902.689388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.689388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.689388 (E_RNA)
where:
Base-Base interactions energy: -1313.084
where: short stacking energy: -539.737
Base-Backbone interact. energy: -2.698
local terms energy: -586.907938
where:
bonds (distance) C4'-P energy: -123.728
bonds (distance) P-C4' energy: -139.900
flat angles C4'-P-C4' energy: -121.188
flat angles P-C4'-P energy: -76.632
tors. eta vs tors. theta energy: -125.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1442.578741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.578741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.578741 (E_RNA)
where:
Base-Base interactions energy: -943.863
where: short stacking energy: -411.197
Base-Backbone interact. energy: -0.492
local terms energy: -498.223218
where:
bonds (distance) C4'-P energy: -109.091
bonds (distance) P-C4' energy: -132.442
flat angles C4'-P-C4' energy: -114.502
flat angles P-C4'-P energy: -63.876
tors. eta vs tors. theta energy: -78.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1329.557995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.557995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.557995 (E_RNA)
where:
Base-Base interactions energy: -851.880
where: short stacking energy: -416.525
Base-Backbone interact. energy: 0.885
local terms energy: -478.562844
where:
bonds (distance) C4'-P energy: -86.720
bonds (distance) P-C4' energy: -106.955
flat angles C4'-P-C4' energy: -127.759
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -84.064
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: 8
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -1012.699676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.699676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.699676 (E_RNA)
where:
Base-Base interactions energy: -598.722
where: short stacking energy: -297.049
Base-Backbone interact. energy: 8.660
local terms energy: -422.636812
where:
bonds (distance) C4'-P energy: -100.723
bonds (distance) P-C4' energy: -117.405
flat angles C4'-P-C4' energy: -109.843
flat angles P-C4'-P energy: -55.017
tors. eta vs tors. theta energy: -39.648
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: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2539.217141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.217141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.217141 (E_RNA)
where:
Base-Base interactions energy: -1787.522
where: short stacking energy: -739.835
Base-Backbone interact. energy: -0.475
local terms energy: -751.219806
where:
bonds (distance) C4'-P energy: -142.413
bonds (distance) P-C4' energy: -131.661
flat angles C4'-P-C4' energy: -163.851
flat angles P-C4'-P energy: -107.851
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: 2, replica: 2
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2523.927891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.927891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.927891 (E_RNA)
where:
Base-Base interactions energy: -1807.872
where: short stacking energy: -728.326
Base-Backbone interact. energy: -4.574
local terms energy: -711.481869
where:
bonds (distance) C4'-P energy: -118.031
bonds (distance) P-C4' energy: -137.542
flat angles C4'-P-C4' energy: -160.701
flat angles P-C4'-P energy: -96.413
tors. eta vs tors. theta energy: -198.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2363.971421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.971421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.971421 (E_RNA)
where:
Base-Base interactions energy: -1634.485
where: short stacking energy: -752.708
Base-Backbone interact. energy: -0.226
local terms energy: -729.260283
where:
bonds (distance) C4'-P energy: -135.142
bonds (distance) P-C4' energy: -136.243
flat angles C4'-P-C4' energy: -152.491
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -218.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2193.978247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.978247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.978247 (E_RNA)
where:
Base-Base interactions energy: -1522.776
where: short stacking energy: -671.353
Base-Backbone interact. energy: -2.380
local terms energy: -668.822872
where:
bonds (distance) C4'-P energy: -132.596
bonds (distance) P-C4' energy: -133.064
flat angles C4'-P-C4' energy: -141.304
flat angles P-C4'-P energy: -94.987
tors. eta vs tors. theta energy: -166.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -2053.714418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.714418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.714418 (E_RNA)
where:
Base-Base interactions energy: -1407.972
where: short stacking energy: -624.182
Base-Backbone interact. energy: -2.867
local terms energy: -642.875793
where:
bonds (distance) C4'-P energy: -117.606
bonds (distance) P-C4' energy: -118.102
flat angles C4'-P-C4' energy: -134.315
flat angles P-C4'-P energy: -109.583
tors. eta vs tors. theta energy: -163.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1978.756584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.756584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.756584 (E_RNA)
where:
Base-Base interactions energy: -1363.341
where: short stacking energy: -577.287
Base-Backbone interact. energy: 0.789
local terms energy: -616.204912
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -133.903
flat angles C4'-P-C4' energy: -132.326
flat angles P-C4'-P energy: -90.193
tors. eta vs tors. theta energy: -140.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1877.811747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.811747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.811747 (E_RNA)
where:
Base-Base interactions energy: -1306.825
where: short stacking energy: -543.687
Base-Backbone interact. energy: -5.397
local terms energy: -565.590254
where:
bonds (distance) C4'-P energy: -121.562
bonds (distance) P-C4' energy: -113.111
flat angles C4'-P-C4' energy: -131.071
flat angles P-C4'-P energy: -76.271
tors. eta vs tors. theta energy: -123.574
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: 9
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1465.805369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.805369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.805369 (E_RNA)
where:
Base-Base interactions energy: -955.448
where: short stacking energy: -423.502
Base-Backbone interact. energy: -1.341
local terms energy: -509.016931
where:
bonds (distance) C4'-P energy: -94.992
bonds (distance) P-C4' energy: -111.049
flat angles C4'-P-C4' energy: -126.721
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: -104.867
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: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -1311.199758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.199758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.199758 (E_RNA)
where:
Base-Base interactions energy: -837.839
where: short stacking energy: -367.580
Base-Backbone interact. energy: 2.336
local terms energy: -475.696599
where:
bonds (distance) C4'-P energy: -117.090
bonds (distance) P-C4' energy: -117.536
flat angles C4'-P-C4' energy: -114.988
flat angles P-C4'-P energy: -76.387
tors. eta vs tors. theta energy: -49.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -994.538831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.538831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.538831 (E_RNA)
where:
Base-Base interactions energy: -607.884
where: short stacking energy: -264.059
Base-Backbone interact. energy: 4.803
local terms energy: -391.457820
where:
bonds (distance) C4'-P energy: -98.611
bonds (distance) P-C4' energy: -112.940
flat angles C4'-P-C4' energy: -86.994
flat angles P-C4'-P energy: -72.480
tors. eta vs tors. theta energy: -20.433
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: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2552.956877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.956877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.956877 (E_RNA)
where:
Base-Base interactions energy: -1804.994
where: short stacking energy: -769.211
Base-Backbone interact. energy: -2.295
local terms energy: -745.668087
where:
bonds (distance) C4'-P energy: -138.602
bonds (distance) P-C4' energy: -136.785
flat angles C4'-P-C4' energy: -157.755
flat angles P-C4'-P energy: -107.059
tors. eta vs tors. theta energy: -205.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2533.943381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.943381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.943381 (E_RNA)
where:
Base-Base interactions energy: -1796.501
where: short stacking energy: -740.681
Base-Backbone interact. energy: -0.704
local terms energy: -736.738826
where:
bonds (distance) C4'-P energy: -125.298
bonds (distance) P-C4' energy: -133.113
flat angles C4'-P-C4' energy: -165.324
flat angles P-C4'-P energy: -110.303
tors. eta vs tors. theta energy: -202.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2323.204706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.204706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.204706 (E_RNA)
where:
Base-Base interactions energy: -1601.972
where: short stacking energy: -723.791
Base-Backbone interact. energy: 0.227
local terms energy: -721.460390
where:
bonds (distance) C4'-P energy: -134.401
bonds (distance) P-C4' energy: -133.845
flat angles C4'-P-C4' energy: -148.929
flat angles P-C4'-P energy: -95.240
tors. eta vs tors. theta energy: -209.046
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: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2230.345357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.345357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.345357 (E_RNA)
where:
Base-Base interactions energy: -1534.185
where: short stacking energy: -693.365
Base-Backbone interact. energy: -1.184
local terms energy: -694.977162
where:
bonds (distance) C4'-P energy: -129.265
bonds (distance) P-C4' energy: -137.543
flat angles C4'-P-C4' energy: -154.524
flat angles P-C4'-P energy: -98.900
tors. eta vs tors. theta energy: -174.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -2024.639053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.639053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.639053 (E_RNA)
where:
Base-Base interactions energy: -1360.291
where: short stacking energy: -606.761
Base-Backbone interact. energy: -2.266
local terms energy: -662.081864
where:
bonds (distance) C4'-P energy: -129.587
bonds (distance) P-C4' energy: -130.839
flat angles C4'-P-C4' energy: -142.712
flat angles P-C4'-P energy: -91.586
tors. eta vs tors. theta energy: -167.358
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: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -2013.250860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.250860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.250860 (E_RNA)
where:
Base-Base interactions energy: -1393.907
where: short stacking energy: -595.774
Base-Backbone interact. energy: 0.209
local terms energy: -619.553054
where:
bonds (distance) C4'-P energy: -133.105
bonds (distance) P-C4' energy: -119.832
flat angles C4'-P-C4' energy: -128.828
flat angles P-C4'-P energy: -81.501
tors. eta vs tors. theta energy: -156.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1788.459362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.459362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.459362 (E_RNA)
where:
Base-Base interactions energy: -1213.095
where: short stacking energy: -521.702
Base-Backbone interact. energy: -2.706
local terms energy: -572.658292
where:
bonds (distance) C4'-P energy: -124.820
bonds (distance) P-C4' energy: -124.502
flat angles C4'-P-C4' energy: -130.054
flat angles P-C4'-P energy: -62.057
tors. eta vs tors. theta energy: -131.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1461.407841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.407841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.407841 (E_RNA)
where:
Base-Base interactions energy: -961.864
where: short stacking energy: -427.698
Base-Backbone interact. energy: 0.747
local terms energy: -500.291002
where:
bonds (distance) C4'-P energy: -121.943
bonds (distance) P-C4' energy: -101.107
flat angles C4'-P-C4' energy: -122.257
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -79.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1337.271577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.271577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.271577 (E_RNA)
where:
Base-Base interactions energy: -867.484
where: short stacking energy: -384.951
Base-Backbone interact. energy: -2.550
local terms energy: -467.237955
where:
bonds (distance) C4'-P energy: -111.804
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -102.959
flat angles P-C4'-P energy: -67.849
tors. eta vs tors. theta energy: -61.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1047.585391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.585391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.585391 (E_RNA)
where:
Base-Base interactions energy: -623.027
where: short stacking energy: -285.737
Base-Backbone interact. energy: -2.764
local terms energy: -421.794317
where:
bonds (distance) C4'-P energy: -111.826
bonds (distance) P-C4' energy: -127.894
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -65.563
tors. eta vs tors. theta energy: -20.486
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2534.579031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.579031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.579031 (E_RNA)
where:
Base-Base interactions energy: -1759.456
where: short stacking energy: -738.144
Base-Backbone interact. energy: -4.337
local terms energy: -770.786484
where:
bonds (distance) C4'-P energy: -146.553
bonds (distance) P-C4' energy: -138.962
flat angles C4'-P-C4' energy: -173.251
flat angles P-C4'-P energy: -113.244
tors. eta vs tors. theta energy: -198.777
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: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2460.810939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.810939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.810939 (E_RNA)
where:
Base-Base interactions energy: -1753.916
where: short stacking energy: -704.111
Base-Backbone interact. energy: 0.027
local terms energy: -706.922387
where:
bonds (distance) C4'-P energy: -129.307
bonds (distance) P-C4' energy: -124.609
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -104.960
tors. eta vs tors. theta energy: -194.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -2330.632680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.632680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.632680 (E_RNA)
where:
Base-Base interactions energy: -1607.530
where: short stacking energy: -726.866
Base-Backbone interact. energy: 1.627
local terms energy: -724.729570
where:
bonds (distance) C4'-P energy: -119.626
bonds (distance) P-C4' energy: -139.777
flat angles C4'-P-C4' energy: -150.148
flat angles P-C4'-P energy: -100.235
tors. eta vs tors. theta energy: -214.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2206.945321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.945321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.945321 (E_RNA)
where:
Base-Base interactions energy: -1534.920
where: short stacking energy: -661.639
Base-Backbone interact. energy: -1.103
local terms energy: -670.921696
where:
bonds (distance) C4'-P energy: -124.399
bonds (distance) P-C4' energy: -135.180
flat angles C4'-P-C4' energy: -156.299
flat angles P-C4'-P energy: -86.311
tors. eta vs tors. theta energy: -168.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2096.670244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.670244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.670244 (E_RNA)
where:
Base-Base interactions energy: -1430.685
where: short stacking energy: -636.785
Base-Backbone interact. energy: -2.854
local terms energy: -663.131451
where:
bonds (distance) C4'-P energy: -127.965
bonds (distance) P-C4' energy: -135.856
flat angles C4'-P-C4' energy: -124.194
flat angles P-C4'-P energy: -92.217
tors. eta vs tors. theta energy: -182.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1985.355964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.355964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.355964 (E_RNA)
where:
Base-Base interactions energy: -1364.243
where: short stacking energy: -604.661
Base-Backbone interact. energy: -3.395
local terms energy: -617.717575
where:
bonds (distance) C4'-P energy: -129.219
bonds (distance) P-C4' energy: -108.853
flat angles C4'-P-C4' energy: -132.328
flat angles P-C4'-P energy: -86.381
tors. eta vs tors. theta energy: -160.937
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: 3
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1780.026564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.026564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.026564 (E_RNA)
where:
Base-Base interactions energy: -1211.162
where: short stacking energy: -528.525
Base-Backbone interact. energy: -3.393
local terms energy: -565.471600
where:
bonds (distance) C4'-P energy: -121.736
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -134.123
flat angles P-C4'-P energy: -81.138
tors. eta vs tors. theta energy: -130.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1444.411822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.411822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.411822 (E_RNA)
where:
Base-Base interactions energy: -946.257
where: short stacking energy: -396.109
Base-Backbone interact. energy: 2.173
local terms energy: -500.327909
where:
bonds (distance) C4'-P energy: -107.246
bonds (distance) P-C4' energy: -122.386
flat angles C4'-P-C4' energy: -133.324
flat angles P-C4'-P energy: -64.542
tors. eta vs tors. theta energy: -72.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1447.121206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.121206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.121206 (E_RNA)
where:
Base-Base interactions energy: -923.641
where: short stacking energy: -420.719
Base-Backbone interact. energy: -2.544
local terms energy: -520.936152
where:
bonds (distance) C4'-P energy: -128.538
bonds (distance) P-C4' energy: -110.214
flat angles C4'-P-C4' energy: -118.345
flat angles P-C4'-P energy: -77.521
tors. eta vs tors. theta energy: -86.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1082.301583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.301583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.301583 (E_RNA)
where:
Base-Base interactions energy: -652.182
where: short stacking energy: -304.068
Base-Backbone interact. energy: 0.735
local terms energy: -430.854892
where:
bonds (distance) C4'-P energy: -101.060
bonds (distance) P-C4' energy: -124.669
flat angles C4'-P-C4' energy: -117.995
flat angles P-C4'-P energy: -50.125
tors. eta vs tors. theta energy: -37.006
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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2556.580180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.580180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.580180 (E_RNA)
where:
Base-Base interactions energy: -1786.115
where: short stacking energy: -759.657
Base-Backbone interact. energy: -3.502
local terms energy: -766.963261
where:
bonds (distance) C4'-P energy: -146.980
bonds (distance) P-C4' energy: -140.050
flat angles C4'-P-C4' energy: -159.458
flat angles P-C4'-P energy: -109.842
tors. eta vs tors. theta energy: -210.635
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: 2
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2474.977374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.977374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.977374 (E_RNA)
where:
Base-Base interactions energy: -1766.486
where: short stacking energy: -718.745
Base-Backbone interact. energy: -1.672
local terms energy: -706.819261
where:
bonds (distance) C4'-P energy: -139.982
bonds (distance) P-C4' energy: -128.263
flat angles C4'-P-C4' energy: -135.677
flat angles P-C4'-P energy: -100.966
tors. eta vs tors. theta energy: -201.931
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: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2307.518104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.518104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.518104 (E_RNA)
where:
Base-Base interactions energy: -1567.022
where: short stacking energy: -676.595
Base-Backbone interact. energy: -3.211
local terms energy: -737.284914
where:
bonds (distance) C4'-P energy: -146.143
bonds (distance) P-C4' energy: -129.734
flat angles C4'-P-C4' energy: -148.175
flat angles P-C4'-P energy: -110.605
tors. eta vs tors. theta energy: -202.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2175.767452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.767452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.767452 (E_RNA)
where:
Base-Base interactions energy: -1508.975
where: short stacking energy: -636.286
Base-Backbone interact. energy: -1.801
local terms energy: -664.990959
where:
bonds (distance) C4'-P energy: -129.963
bonds (distance) P-C4' energy: -120.072
flat angles C4'-P-C4' energy: -142.390
flat angles P-C4'-P energy: -98.464
tors. eta vs tors. theta energy: -174.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -2160.946698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.946698 (E_RNA)
where:
Base-Base interactions energy: -1477.739
where: short stacking energy: -658.520
Base-Backbone interact. energy: -2.151
local terms energy: -681.056757
where:
bonds (distance) C4'-P energy: -119.472
bonds (distance) P-C4' energy: -113.663
flat angles C4'-P-C4' energy: -156.030
flat angles P-C4'-P energy: -104.340
tors. eta vs tors. theta energy: -187.552
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: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -2010.766582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.766582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.766582 (E_RNA)
where:
Base-Base interactions energy: -1379.448
where: short stacking energy: -618.885
Base-Backbone interact. energy: -1.656
local terms energy: -629.662808
where:
bonds (distance) C4'-P energy: -122.622
bonds (distance) P-C4' energy: -134.273
flat angles C4'-P-C4' energy: -129.544
flat angles P-C4'-P energy: -89.193
tors. eta vs tors. theta energy: -154.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1802.497125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.497125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.497125 (E_RNA)
where:
Base-Base interactions energy: -1247.031
where: short stacking energy: -542.258
Base-Backbone interact. energy: -2.054
local terms energy: -553.411869
where:
bonds (distance) C4'-P energy: -105.489
bonds (distance) P-C4' energy: -122.385
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -71.902
tors. eta vs tors. theta energy: -127.103
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: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1425.046078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.046078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.046078 (E_RNA)
where:
Base-Base interactions energy: -933.833
where: short stacking energy: -420.236
Base-Backbone interact. energy: 2.522
local terms energy: -493.734307
where:
bonds (distance) C4'-P energy: -105.494
bonds (distance) P-C4' energy: -106.319
flat angles C4'-P-C4' energy: -126.133
flat angles P-C4'-P energy: -72.299
tors. eta vs tors. theta energy: -83.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1381.317544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.317544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.317544 (E_RNA)
where:
Base-Base interactions energy: -877.898
where: short stacking energy: -371.616
Base-Backbone interact. energy: -1.867
local terms energy: -501.553315
where:
bonds (distance) C4'-P energy: -119.874
bonds (distance) P-C4' energy: -110.627
flat angles C4'-P-C4' energy: -133.168
flat angles P-C4'-P energy: -57.445
tors. eta vs tors. theta energy: -80.440
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: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1109.052471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.052471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.052471 (E_RNA)
where:
Base-Base interactions energy: -671.860
where: short stacking energy: -313.708
Base-Backbone interact. energy: 1.475
local terms energy: -438.667544
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -113.697
flat angles C4'-P-C4' energy: -111.737
flat angles P-C4'-P energy: -63.569
tors. eta vs tors. theta energy: -32.540
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: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2548.553313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.553313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.553313 (E_RNA)
where:
Base-Base interactions energy: -1785.361
where: short stacking energy: -763.089
Base-Backbone interact. energy: -2.508
local terms energy: -760.684082
where:
bonds (distance) C4'-P energy: -140.970
bonds (distance) P-C4' energy: -142.953
flat angles C4'-P-C4' energy: -163.945
flat angles P-C4'-P energy: -100.963
tors. eta vs tors. theta energy: -211.853
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: 2
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2495.588253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.588253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.588253 (E_RNA)
where:
Base-Base interactions energy: -1746.680
where: short stacking energy: -722.037
Base-Backbone interact. energy: -3.863
local terms energy: -745.045031
where:
bonds (distance) C4'-P energy: -129.545
bonds (distance) P-C4' energy: -134.263
flat angles C4'-P-C4' energy: -163.553
flat angles P-C4'-P energy: -111.529
tors. eta vs tors. theta energy: -206.156
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: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2346.462541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.462541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.462541 (E_RNA)
where:
Base-Base interactions energy: -1585.784
where: short stacking energy: -709.483
Base-Backbone interact. energy: -1.675
local terms energy: -759.003784
where:
bonds (distance) C4'-P energy: -144.449
bonds (distance) P-C4' energy: -133.369
flat angles C4'-P-C4' energy: -164.013
flat angles P-C4'-P energy: -108.331
tors. eta vs tors. theta energy: -208.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2188.193343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.193343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.193343 (E_RNA)
where:
Base-Base interactions energy: -1529.555
where: short stacking energy: -648.941
Base-Backbone interact. energy: -0.165
local terms energy: -658.473428
where:
bonds (distance) C4'-P energy: -139.315
bonds (distance) P-C4' energy: -125.317
flat angles C4'-P-C4' energy: -144.521
flat angles P-C4'-P energy: -90.408
tors. eta vs tors. theta energy: -158.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2113.992464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.992464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.992464 (E_RNA)
where:
Base-Base interactions energy: -1444.947
where: short stacking energy: -655.163
Base-Backbone interact. energy: -0.985
local terms energy: -668.061090
where:
bonds (distance) C4'-P energy: -124.208
bonds (distance) P-C4' energy: -121.267
flat angles C4'-P-C4' energy: -145.942
flat angles P-C4'-P energy: -99.698
tors. eta vs tors. theta energy: -176.947
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: 6
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1966.510909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.510909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.510909 (E_RNA)
where:
Base-Base interactions energy: -1357.343
where: short stacking energy: -598.775
Base-Backbone interact. energy: -0.070
local terms energy: -609.098178
where:
bonds (distance) C4'-P energy: -120.942
bonds (distance) P-C4' energy: -121.702
flat angles C4'-P-C4' energy: -126.759
flat angles P-C4'-P energy: -96.445
tors. eta vs tors. theta energy: -143.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1834.303723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.303723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.303723 (E_RNA)
where:
Base-Base interactions energy: -1261.240
where: short stacking energy: -542.202
Base-Backbone interact. energy: -5.236
local terms energy: -567.827975
where:
bonds (distance) C4'-P energy: -92.087
bonds (distance) P-C4' energy: -112.395
flat angles C4'-P-C4' energy: -144.927
flat angles P-C4'-P energy: -85.773
tors. eta vs tors. theta energy: -132.647
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: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1422.913001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.913001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.913001 (E_RNA)
where:
Base-Base interactions energy: -924.728
where: short stacking energy: -415.439
Base-Backbone interact. energy: -2.402
local terms energy: -495.782815
where:
bonds (distance) C4'-P energy: -101.403
bonds (distance) P-C4' energy: -117.084
flat angles C4'-P-C4' energy: -120.223
flat angles P-C4'-P energy: -71.249
tors. eta vs tors. theta energy: -85.823
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: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1429.314585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.314585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.314585 (E_RNA)
where:
Base-Base interactions energy: -934.351
where: short stacking energy: -423.608
Base-Backbone interact. energy: -1.033
local terms energy: -493.930937
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -109.478
flat angles C4'-P-C4' energy: -115.606
flat angles P-C4'-P energy: -65.594
tors. eta vs tors. theta energy: -97.370
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: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1138.666586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.666586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.666586 (E_RNA)
where:
Base-Base interactions energy: -708.427
where: short stacking energy: -340.064
Base-Backbone interact. energy: -2.551
local terms energy: -427.688393
where:
bonds (distance) C4'-P energy: -90.342
bonds (distance) P-C4' energy: -127.610
flat angles C4'-P-C4' energy: -106.223
flat angles P-C4'-P energy: -58.765
tors. eta vs tors. theta energy: -44.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2539.769822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.769822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.769822 (E_RNA)
where:
Base-Base interactions energy: -1795.762
where: short stacking energy: -749.071
Base-Backbone interact. energy: -1.906
local terms energy: -742.101185
where:
bonds (distance) C4'-P energy: -130.868
bonds (distance) P-C4' energy: -133.978
flat angles C4'-P-C4' energy: -159.527
flat angles P-C4'-P energy: -106.008
tors. eta vs tors. theta energy: -211.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2515.425915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.425915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.425915 (E_RNA)
where:
Base-Base interactions energy: -1799.631
where: short stacking energy: -729.409
Base-Backbone interact. energy: -2.892
local terms energy: -712.903498
where:
bonds (distance) C4'-P energy: -131.407
bonds (distance) P-C4' energy: -132.125
flat angles C4'-P-C4' energy: -146.529
flat angles P-C4'-P energy: -100.645
tors. eta vs tors. theta energy: -202.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2349.326426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.326426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.326426 (E_RNA)
where:
Base-Base interactions energy: -1636.929
where: short stacking energy: -712.475
Base-Backbone interact. energy: -1.847
local terms energy: -710.550809
where:
bonds (distance) C4'-P energy: -124.502
bonds (distance) P-C4' energy: -140.173
flat angles C4'-P-C4' energy: -152.552
flat angles P-C4'-P energy: -88.613
tors. eta vs tors. theta energy: -204.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2174.677835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.677835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.677835 (E_RNA)
where:
Base-Base interactions energy: -1508.909
where: short stacking energy: -639.542
Base-Backbone interact. energy: -6.034
local terms energy: -659.734418
where:
bonds (distance) C4'-P energy: -133.249
bonds (distance) P-C4' energy: -130.866
flat angles C4'-P-C4' energy: -151.723
flat angles P-C4'-P energy: -82.996
tors. eta vs tors. theta energy: -160.900
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: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2083.426767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.426767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.426767 (E_RNA)
where:
Base-Base interactions energy: -1443.546
where: short stacking energy: -643.355
Base-Backbone interact. energy: 3.337
local terms energy: -643.217444
where:
bonds (distance) C4'-P energy: -112.311
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -141.883
flat angles P-C4'-P energy: -91.518
tors. eta vs tors. theta energy: -173.830
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: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1966.555758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.555758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.555758 (E_RNA)
where:
Base-Base interactions energy: -1384.866
where: short stacking energy: -605.622
Base-Backbone interact. energy: 1.309
local terms energy: -582.998934
where:
bonds (distance) C4'-P energy: -112.445
bonds (distance) P-C4' energy: -132.751
flat angles C4'-P-C4' energy: -120.888
flat angles P-C4'-P energy: -80.236
tors. eta vs tors. theta energy: -136.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1755.384340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.384340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.384340 (E_RNA)
where:
Base-Base interactions energy: -1200.379
where: short stacking energy: -521.110
Base-Backbone interact. energy: 0.961
local terms energy: -555.965959
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -122.135
flat angles C4'-P-C4' energy: -120.179
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -133.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1412.548254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.548254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.548254 (E_RNA)
where:
Base-Base interactions energy: -901.446
where: short stacking energy: -413.543
Base-Backbone interact. energy: -1.813
local terms energy: -509.288903
where:
bonds (distance) C4'-P energy: -106.527
bonds (distance) P-C4' energy: -118.159
flat angles C4'-P-C4' energy: -126.430
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -76.699
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: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1375.795637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.795637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.795637 (E_RNA)
where:
Base-Base interactions energy: -897.435
where: short stacking energy: -391.450
Base-Backbone interact. energy: 0.616
local terms energy: -478.976791
where:
bonds (distance) C4'-P energy: -116.626
bonds (distance) P-C4' energy: -102.262
flat angles C4'-P-C4' energy: -119.722
flat angles P-C4'-P energy: -75.346
tors. eta vs tors. theta energy: -65.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1139.769623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.769623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.769623 (E_RNA)
where:
Base-Base interactions energy: -699.245
where: short stacking energy: -328.651
Base-Backbone interact. energy: 0.426
local terms energy: -440.950048
where:
bonds (distance) C4'-P energy: -114.234
bonds (distance) P-C4' energy: -121.568
flat angles C4'-P-C4' energy: -93.191
flat angles P-C4'-P energy: -66.080
tors. eta vs tors. theta energy: -45.877
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: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2552.173530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.173530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.173530 (E_RNA)
where:
Base-Base interactions energy: -1800.374
where: short stacking energy: -757.965
Base-Backbone interact. energy: -3.874
local terms energy: -747.924969
where:
bonds (distance) C4'-P energy: -144.074
bonds (distance) P-C4' energy: -129.408
flat angles C4'-P-C4' energy: -161.012
flat angles P-C4'-P energy: -99.858
tors. eta vs tors. theta energy: -213.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2506.838867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.838867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.838867 (E_RNA)
where:
Base-Base interactions energy: -1798.249
where: short stacking energy: -740.572
Base-Backbone interact. energy: -5.665
local terms energy: -702.924478
where:
bonds (distance) C4'-P energy: -121.287
bonds (distance) P-C4' energy: -130.103
flat angles C4'-P-C4' energy: -149.333
flat angles P-C4'-P energy: -101.691
tors. eta vs tors. theta energy: -200.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2360.514602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.514602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.514602 (E_RNA)
where:
Base-Base interactions energy: -1631.691
where: short stacking energy: -712.319
Base-Backbone interact. energy: 0.243
local terms energy: -729.066932
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -138.483
flat angles C4'-P-C4' energy: -152.278
flat angles P-C4'-P energy: -109.459
tors. eta vs tors. theta energy: -205.862
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: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2196.130850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.130850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.130850 (E_RNA)
where:
Base-Base interactions energy: -1516.322
where: short stacking energy: -663.640
Base-Backbone interact. energy: -4.586
local terms energy: -675.222973
where:
bonds (distance) C4'-P energy: -133.214
bonds (distance) P-C4' energy: -133.920
flat angles C4'-P-C4' energy: -149.479
flat angles P-C4'-P energy: -85.217
tors. eta vs tors. theta energy: -173.393
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: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2119.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.777508 (E_RNA)
where:
Base-Base interactions energy: -1454.247
where: short stacking energy: -659.189
Base-Backbone interact. energy: -1.703
local terms energy: -663.827592
where:
bonds (distance) C4'-P energy: -118.724
bonds (distance) P-C4' energy: -117.054
flat angles C4'-P-C4' energy: -145.730
flat angles P-C4'-P energy: -82.211
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: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -2003.757859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.757859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.757859 (E_RNA)
where:
Base-Base interactions energy: -1408.945
where: short stacking energy: -604.139
Base-Backbone interact. energy: 2.495
local terms energy: -597.307030
where:
bonds (distance) C4'-P energy: -111.291
bonds (distance) P-C4' energy: -113.070
flat angles C4'-P-C4' energy: -138.818
flat angles P-C4'-P energy: -80.806
tors. eta vs tors. theta energy: -153.322
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: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1775.576562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.576562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.576562 (E_RNA)
where:
Base-Base interactions energy: -1202.862
where: short stacking energy: -548.635
Base-Backbone interact. energy: -3.290
local terms energy: -569.425138
where:
bonds (distance) C4'-P energy: -123.175
bonds (distance) P-C4' energy: -95.531
flat angles C4'-P-C4' energy: -131.759
flat angles P-C4'-P energy: -86.498
tors. eta vs tors. theta energy: -132.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1383.642670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.642670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.642670 (E_RNA)
where:
Base-Base interactions energy: -871.947
where: short stacking energy: -396.077
Base-Backbone interact. energy: -0.159
local terms energy: -511.535980
where:
bonds (distance) C4'-P energy: -118.375
bonds (distance) P-C4' energy: -124.055
flat angles C4'-P-C4' energy: -116.037
flat angles P-C4'-P energy: -78.995
tors. eta vs tors. theta energy: -74.073
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: 9
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1400.261625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.261625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.261625 (E_RNA)
where:
Base-Base interactions energy: -923.578
where: short stacking energy: -415.723
Base-Backbone interact. energy: 5.399
local terms energy: -482.081677
where:
bonds (distance) C4'-P energy: -109.003
bonds (distance) P-C4' energy: -105.260
flat angles C4'-P-C4' energy: -116.666
flat angles P-C4'-P energy: -80.622
tors. eta vs tors. theta energy: -70.530
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: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -1116.681567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.681567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.681567 (E_RNA)
where:
Base-Base interactions energy: -710.791
where: short stacking energy: -347.364
Base-Backbone interact. energy: 3.011
local terms energy: -408.901512
where:
bonds (distance) C4'-P energy: -96.388
bonds (distance) P-C4' energy: -103.426
flat angles C4'-P-C4' energy: -89.102
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -64.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2538.241246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.241246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.241246 (E_RNA)
where:
Base-Base interactions energy: -1794.906
where: short stacking energy: -747.129
Base-Backbone interact. energy: -4.374
local terms energy: -738.960856
where:
bonds (distance) C4'-P energy: -135.819
bonds (distance) P-C4' energy: -140.380
flat angles C4'-P-C4' energy: -157.948
flat angles P-C4'-P energy: -102.789
tors. eta vs tors. theta energy: -202.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -2500.687390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.687390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.687390 (E_RNA)
where:
Base-Base interactions energy: -1762.727
where: short stacking energy: -733.588
Base-Backbone interact. energy: -2.569
local terms energy: -735.391485
where:
bonds (distance) C4'-P energy: -134.283
bonds (distance) P-C4' energy: -144.886
flat angles C4'-P-C4' energy: -149.109
flat angles P-C4'-P energy: -106.118
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: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2340.830392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.830392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.830392 (E_RNA)
where:
Base-Base interactions energy: -1618.641
where: short stacking energy: -716.579
Base-Backbone interact. energy: 1.215
local terms energy: -723.404185
where:
bonds (distance) C4'-P energy: -124.418
bonds (distance) P-C4' energy: -146.358
flat angles C4'-P-C4' energy: -163.119
flat angles P-C4'-P energy: -95.136
tors. eta vs tors. theta energy: -194.373
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: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2191.323463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.323463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.323463 (E_RNA)
where:
Base-Base interactions energy: -1552.961
where: short stacking energy: -678.091
Base-Backbone interact. energy: 0.191
local terms energy: -638.552970
where:
bonds (distance) C4'-P energy: -120.315
bonds (distance) P-C4' energy: -115.404
flat angles C4'-P-C4' energy: -142.423
flat angles P-C4'-P energy: -91.627
tors. eta vs tors. theta energy: -168.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -2093.000723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.000723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.000723 (E_RNA)
where:
Base-Base interactions energy: -1419.410
where: short stacking energy: -659.390
Base-Backbone interact. energy: -0.422
local terms energy: -673.168818
where:
bonds (distance) C4'-P energy: -119.527
bonds (distance) P-C4' energy: -119.342
flat angles C4'-P-C4' energy: -160.075
flat angles P-C4'-P energy: -76.450
tors. eta vs tors. theta energy: -197.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1974.787909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.787909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.787909 (E_RNA)
where:
Base-Base interactions energy: -1381.640
where: short stacking energy: -593.387
Base-Backbone interact. energy: -2.137
local terms energy: -591.010880
where:
bonds (distance) C4'-P energy: -115.226
bonds (distance) P-C4' energy: -106.217
flat angles C4'-P-C4' energy: -135.658
flat angles P-C4'-P energy: -80.749
tors. eta vs tors. theta energy: -153.161
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: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1814.314797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.314797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.314797 (E_RNA)
where:
Base-Base interactions energy: -1234.735
where: short stacking energy: -517.982
Base-Backbone interact. energy: 1.940
local terms energy: -581.519573
where:
bonds (distance) C4'-P energy: -107.365
bonds (distance) P-C4' energy: -121.251
flat angles C4'-P-C4' energy: -136.265
flat angles P-C4'-P energy: -82.189
tors. eta vs tors. theta energy: -134.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1382.153447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.153447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.153447 (E_RNA)
where:
Base-Base interactions energy: -920.720
where: short stacking energy: -423.455
Base-Backbone interact. energy: 2.897
local terms energy: -464.330246
where:
bonds (distance) C4'-P energy: -103.121
bonds (distance) P-C4' energy: -106.499
flat angles C4'-P-C4' energy: -114.018
flat angles P-C4'-P energy: -77.442
tors. eta vs tors. theta energy: -63.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1423.299357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.299357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.299357 (E_RNA)
where:
Base-Base interactions energy: -942.537
where: short stacking energy: -440.758
Base-Backbone interact. energy: 3.096
local terms energy: -483.858364
where:
bonds (distance) C4'-P energy: -108.558
bonds (distance) P-C4' energy: -105.188
flat angles C4'-P-C4' energy: -107.249
flat angles P-C4'-P energy: -79.779
tors. eta vs tors. theta energy: -83.085
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: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -1068.042852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.042852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.042852 (E_RNA)
where:
Base-Base interactions energy: -628.952
where: short stacking energy: -299.896
Base-Backbone interact. energy: 12.031
local terms energy: -451.121407
where:
bonds (distance) C4'-P energy: -107.045
bonds (distance) P-C4' energy: -110.160
flat angles C4'-P-C4' energy: -110.866
flat angles P-C4'-P energy: -77.947
tors. eta vs tors. theta energy: -45.104
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: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2549.986478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.986478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.986478 (E_RNA)
where:
Base-Base interactions energy: -1798.945
where: short stacking energy: -779.957
Base-Backbone interact. energy: -2.534
local terms energy: -748.508052
where:
bonds (distance) C4'-P energy: -139.100
bonds (distance) P-C4' energy: -132.017
flat angles C4'-P-C4' energy: -154.903
flat angles P-C4'-P energy: -107.034
tors. eta vs tors. theta energy: -215.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2512.926448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.926448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.926448 (E_RNA)
where:
Base-Base interactions energy: -1793.796
where: short stacking energy: -723.473
Base-Backbone interact. energy: -1.983
local terms energy: -717.147479
where:
bonds (distance) C4'-P energy: -133.929
bonds (distance) P-C4' energy: -143.171
flat angles C4'-P-C4' energy: -137.873
flat angles P-C4'-P energy: -95.130
tors. eta vs tors. theta energy: -207.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2321.697343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.697343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.697343 (E_RNA)
where:
Base-Base interactions energy: -1599.175
where: short stacking energy: -717.810
Base-Backbone interact. energy: -0.539
local terms energy: -721.983398
where:
bonds (distance) C4'-P energy: -126.918
bonds (distance) P-C4' energy: -123.324
flat angles C4'-P-C4' energy: -150.567
flat angles P-C4'-P energy: -113.983
tors. eta vs tors. theta energy: -207.191
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: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2214.173065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.173065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.173065 (E_RNA)
where:
Base-Base interactions energy: -1540.039
where: short stacking energy: -677.077
Base-Backbone interact. energy: 1.065
local terms energy: -675.199157
where:
bonds (distance) C4'-P energy: -116.728
bonds (distance) P-C4' energy: -127.700
flat angles C4'-P-C4' energy: -152.147
flat angles P-C4'-P energy: -83.872
tors. eta vs tors. theta energy: -194.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2062.594868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.594868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.594868 (E_RNA)
where:
Base-Base interactions energy: -1406.653
where: short stacking energy: -616.214
Base-Backbone interact. energy: 0.678
local terms energy: -656.620028
where:
bonds (distance) C4'-P energy: -122.713
bonds (distance) P-C4' energy: -122.507
flat angles C4'-P-C4' energy: -137.716
flat angles P-C4'-P energy: -103.779
tors. eta vs tors. theta energy: -169.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -2008.655893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.655893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.655893 (E_RNA)
where:
Base-Base interactions energy: -1392.201
where: short stacking energy: -572.880
Base-Backbone interact. energy: -4.244
local terms energy: -612.210751
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -140.364
flat angles C4'-P-C4' energy: -153.747
flat angles P-C4'-P energy: -77.378
tors. eta vs tors. theta energy: -143.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1765.720612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.720612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.720612 (E_RNA)
where:
Base-Base interactions energy: -1226.544
where: short stacking energy: -519.525
Base-Backbone interact. energy: 0.009
local terms energy: -539.185357
where:
bonds (distance) C4'-P energy: -114.600
bonds (distance) P-C4' energy: -105.832
flat angles C4'-P-C4' energy: -118.872
flat angles P-C4'-P energy: -81.887
tors. eta vs tors. theta energy: -117.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1514.028062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.028062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.028062 (E_RNA)
where:
Base-Base interactions energy: -1019.999
where: short stacking energy: -425.949
Base-Backbone interact. energy: 4.104
local terms energy: -498.132979
where:
bonds (distance) C4'-P energy: -105.070
bonds (distance) P-C4' energy: -116.359
flat angles C4'-P-C4' energy: -121.207
flat angles P-C4'-P energy: -68.543
tors. eta vs tors. theta energy: -86.954
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1332.564179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.564179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.564179 (E_RNA)
where:
Base-Base interactions energy: -852.849
where: short stacking energy: -404.910
Base-Backbone interact. energy: 2.715
local terms energy: -482.429498
where:
bonds (distance) C4'-P energy: -99.973
bonds (distance) P-C4' energy: -104.227
flat angles C4'-P-C4' energy: -126.797
flat angles P-C4'-P energy: -76.872
tors. eta vs tors. theta energy: -74.561
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: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -1095.927636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.927636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.927636 (E_RNA)
where:
Base-Base interactions energy: -659.209
where: short stacking energy: -324.373
Base-Backbone interact. energy: -0.679
local terms energy: -436.039952
where:
bonds (distance) C4'-P energy: -119.397
bonds (distance) P-C4' energy: -105.801
flat angles C4'-P-C4' energy: -94.227
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -40.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2540.463653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.463653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.463653 (E_RNA)
where:
Base-Base interactions energy: -1778.256
where: short stacking energy: -751.634
Base-Backbone interact. energy: -4.482
local terms energy: -757.725822
where:
bonds (distance) C4'-P energy: -144.420
bonds (distance) P-C4' energy: -130.187
flat angles C4'-P-C4' energy: -170.142
flat angles P-C4'-P energy: -107.305
tors. eta vs tors. theta energy: -205.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -2500.801349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.801349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.801349 (E_RNA)
where:
Base-Base interactions energy: -1775.485
where: short stacking energy: -741.859
Base-Backbone interact. energy: -4.482
local terms energy: -720.834410
where:
bonds (distance) C4'-P energy: -134.786
bonds (distance) P-C4' energy: -132.536
flat angles C4'-P-C4' energy: -155.282
flat angles P-C4'-P energy: -93.127
tors. eta vs tors. theta energy: -205.104
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: 152
Temperature: 1.000000
Total energy: -2325.768030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.768030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.768030 (E_RNA)
where:
Base-Base interactions energy: -1595.169
where: short stacking energy: -694.337
Base-Backbone interact. energy: 4.703
local terms energy: -735.302112
where:
bonds (distance) C4'-P energy: -130.401
bonds (distance) P-C4' energy: -125.157
flat angles C4'-P-C4' energy: -151.670
flat angles P-C4'-P energy: -107.522
tors. eta vs tors. theta energy: -220.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2187.149125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.149125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.149125 (E_RNA)
where:
Base-Base interactions energy: -1510.334
where: short stacking energy: -685.951
Base-Backbone interact. energy: 3.044
local terms energy: -679.859086
where:
bonds (distance) C4'-P energy: -116.388
bonds (distance) P-C4' energy: -125.678
flat angles C4'-P-C4' energy: -140.929
flat angles P-C4'-P energy: -111.463
tors. eta vs tors. theta energy: -185.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2067.860031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.860031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.860031 (E_RNA)
where:
Base-Base interactions energy: -1442.669
where: short stacking energy: -623.485
Base-Backbone interact. energy: -1.073
local terms energy: -624.118154
where:
bonds (distance) C4'-P energy: -99.716
bonds (distance) P-C4' energy: -123.822
flat angles C4'-P-C4' energy: -141.566
flat angles P-C4'-P energy: -87.495
tors. eta vs tors. theta energy: -171.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1981.890248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.890248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.890248 (E_RNA)
where:
Base-Base interactions energy: -1371.192
where: short stacking energy: -601.829
Base-Backbone interact. energy: 2.985
local terms energy: -613.683534
where:
bonds (distance) C4'-P energy: -107.342
bonds (distance) P-C4' energy: -134.130
flat angles C4'-P-C4' energy: -132.722
flat angles P-C4'-P energy: -94.940
tors. eta vs tors. theta energy: -144.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1831.506745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.506745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.506745 (E_RNA)
where:
Base-Base interactions energy: -1232.293
where: short stacking energy: -538.533
Base-Backbone interact. energy: -1.777
local terms energy: -597.436971
where:
bonds (distance) C4'-P energy: -127.021
bonds (distance) P-C4' energy: -101.878
flat angles C4'-P-C4' energy: -136.023
flat angles P-C4'-P energy: -81.744
tors. eta vs tors. theta energy: -150.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1512.475443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.475443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.475443 (E_RNA)
where:
Base-Base interactions energy: -986.463
where: short stacking energy: -419.706
Base-Backbone interact. energy: 1.748
local terms energy: -527.761211
where:
bonds (distance) C4'-P energy: -113.069
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -129.831
flat angles P-C4'-P energy: -76.203
tors. eta vs tors. theta energy: -83.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1308.214856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.214856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.214856 (E_RNA)
where:
Base-Base interactions energy: -825.630
where: short stacking energy: -378.227
Base-Backbone interact. energy: 0.943
local terms energy: -483.527910
where:
bonds (distance) C4'-P energy: -110.785
bonds (distance) P-C4' energy: -125.376
flat angles C4'-P-C4' energy: -123.561
flat angles P-C4'-P energy: -62.230
tors. eta vs tors. theta energy: -61.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -1064.453743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.453743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.453743 (E_RNA)
where:
Base-Base interactions energy: -625.367
where: short stacking energy: -303.836
Base-Backbone interact. energy: 5.937
local terms energy: -445.023233
where:
bonds (distance) C4'-P energy: -96.563
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -108.926
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -26.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2529.441430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.441430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.441430 (E_RNA)
where:
Base-Base interactions energy: -1749.894
where: short stacking energy: -732.487
Base-Backbone interact. energy: -5.277
local terms energy: -774.270794
where:
bonds (distance) C4'-P energy: -131.670
bonds (distance) P-C4' energy: -142.072
flat angles C4'-P-C4' energy: -174.103
flat angles P-C4'-P energy: -108.332
tors. eta vs tors. theta energy: -218.094
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: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2533.877240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.877240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.877240 (E_RNA)
where:
Base-Base interactions energy: -1780.660
where: short stacking energy: -737.784
Base-Backbone interact. energy: -3.371
local terms energy: -749.845753
where:
bonds (distance) C4'-P energy: -140.433
bonds (distance) P-C4' energy: -129.774
flat angles C4'-P-C4' energy: -159.236
flat angles P-C4'-P energy: -110.800
tors. eta vs tors. theta energy: -209.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2323.032017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.032017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.032017 (E_RNA)
where:
Base-Base interactions energy: -1605.986
where: short stacking energy: -703.396
Base-Backbone interact. energy: -0.134
local terms energy: -716.912723
where:
bonds (distance) C4'-P energy: -142.997
bonds (distance) P-C4' energy: -126.857
flat angles C4'-P-C4' energy: -150.158
flat angles P-C4'-P energy: -98.115
tors. eta vs tors. theta energy: -198.786
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: 4
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2200.851020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.851020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.851020 (E_RNA)
where:
Base-Base interactions energy: -1506.358
where: short stacking energy: -680.232
Base-Backbone interact. energy: -1.563
local terms energy: -692.929998
where:
bonds (distance) C4'-P energy: -119.675
bonds (distance) P-C4' energy: -127.771
flat angles C4'-P-C4' energy: -149.138
flat angles P-C4'-P energy: -102.796
tors. eta vs tors. theta energy: -193.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -2048.161355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.161355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.161355 (E_RNA)
where:
Base-Base interactions energy: -1390.086
where: short stacking energy: -593.360
Base-Backbone interact. energy: -1.053
local terms energy: -657.022657
where:
bonds (distance) C4'-P energy: -129.912
bonds (distance) P-C4' energy: -140.644
flat angles C4'-P-C4' energy: -137.105
flat angles P-C4'-P energy: -79.636
tors. eta vs tors. theta energy: -169.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1995.109572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.109572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.109572 (E_RNA)
where:
Base-Base interactions energy: -1369.920
where: short stacking energy: -591.777
Base-Backbone interact. energy: -2.759
local terms energy: -622.430817
where:
bonds (distance) C4'-P energy: -116.320
bonds (distance) P-C4' energy: -131.189
flat angles C4'-P-C4' energy: -143.017
flat angles P-C4'-P energy: -82.211
tors. eta vs tors. theta energy: -149.693
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: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1845.182099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.182099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.182099 (E_RNA)
where:
Base-Base interactions energy: -1252.878
where: short stacking energy: -545.664
Base-Backbone interact. energy: -3.689
local terms energy: -588.615095
where:
bonds (distance) C4'-P energy: -95.711
bonds (distance) P-C4' energy: -110.060
flat angles C4'-P-C4' energy: -145.155
flat angles P-C4'-P energy: -95.568
tors. eta vs tors. theta energy: -142.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1602.232870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.232870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.232870 (E_RNA)
where:
Base-Base interactions energy: -1085.782
where: short stacking energy: -478.755
Base-Backbone interact. energy: -1.922
local terms energy: -514.529429
where:
bonds (distance) C4'-P energy: -117.489
bonds (distance) P-C4' energy: -117.383
flat angles C4'-P-C4' energy: -109.251
flat angles P-C4'-P energy: -85.320
tors. eta vs tors. theta energy: -85.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1319.864181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.864181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.864181 (E_RNA)
where:
Base-Base interactions energy: -878.263
where: short stacking energy: -390.016
Base-Backbone interact. energy: -1.009
local terms energy: -440.592111
where:
bonds (distance) C4'-P energy: -88.758
bonds (distance) P-C4' energy: -124.536
flat angles C4'-P-C4' energy: -111.291
flat angles P-C4'-P energy: -56.040
tors. eta vs tors. theta energy: -59.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1142.454447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.454447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.454447 (E_RNA)
where:
Base-Base interactions energy: -699.980
where: short stacking energy: -337.786
Base-Backbone interact. energy: 3.728
local terms energy: -446.202571
where:
bonds (distance) C4'-P energy: -117.390
bonds (distance) P-C4' energy: -102.345
flat angles C4'-P-C4' energy: -105.488
flat angles P-C4'-P energy: -63.699
tors. eta vs tors. theta energy: -57.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2526.093253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.093253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.093253 (E_RNA)
where:
Base-Base interactions energy: -1774.056
where: short stacking energy: -742.592
Base-Backbone interact. energy: -3.226
local terms energy: -748.810398
where:
bonds (distance) C4'-P energy: -148.298
bonds (distance) P-C4' energy: -128.076
flat angles C4'-P-C4' energy: -162.759
flat angles P-C4'-P energy: -100.982
tors. eta vs tors. theta energy: -208.695
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: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2519.197911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.197911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.197911 (E_RNA)
where:
Base-Base interactions energy: -1766.168
where: short stacking energy: -741.494
Base-Backbone interact. energy: -1.717
local terms energy: -751.312629
where:
bonds (distance) C4'-P energy: -145.826
bonds (distance) P-C4' energy: -140.070
flat angles C4'-P-C4' energy: -152.174
flat angles P-C4'-P energy: -108.411
tors. eta vs tors. theta energy: -204.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2298.908402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.908402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.908402 (E_RNA)
where:
Base-Base interactions energy: -1618.535
where: short stacking energy: -690.368
Base-Backbone interact. energy: -0.785
local terms energy: -679.588714
where:
bonds (distance) C4'-P energy: -114.234
bonds (distance) P-C4' energy: -121.859
flat angles C4'-P-C4' energy: -139.948
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -203.536
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: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2161.770800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.770800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.770800 (E_RNA)
where:
Base-Base interactions energy: -1474.811
where: short stacking energy: -649.003
Base-Backbone interact. energy: -1.237
local terms energy: -685.722312
where:
bonds (distance) C4'-P energy: -119.916
bonds (distance) P-C4' energy: -117.034
flat angles C4'-P-C4' energy: -156.604
flat angles P-C4'-P energy: -111.711
tors. eta vs tors. theta energy: -180.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -2093.514251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.514251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.514251 (E_RNA)
where:
Base-Base interactions energy: -1447.564
where: short stacking energy: -663.251
Base-Backbone interact. energy: -1.778
local terms energy: -644.172150
where:
bonds (distance) C4'-P energy: -119.059
bonds (distance) P-C4' energy: -114.333
flat angles C4'-P-C4' energy: -140.632
flat angles P-C4'-P energy: -92.986
tors. eta vs tors. theta energy: -177.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1955.773457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.773457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.773457 (E_RNA)
where:
Base-Base interactions energy: -1347.064
where: short stacking energy: -567.253
Base-Backbone interact. energy: -0.265
local terms energy: -608.443834
where:
bonds (distance) C4'-P energy: -119.024
bonds (distance) P-C4' energy: -133.558
flat angles C4'-P-C4' energy: -131.358
flat angles P-C4'-P energy: -83.429
tors. eta vs tors. theta energy: -141.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1894.323596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.323596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.323596 (E_RNA)
where:
Base-Base interactions energy: -1327.161
where: short stacking energy: -561.733
Base-Backbone interact. energy: -1.902
local terms energy: -565.260966
where:
bonds (distance) C4'-P energy: -114.304
bonds (distance) P-C4' energy: -111.018
flat angles C4'-P-C4' energy: -124.986
flat angles P-C4'-P energy: -79.719
tors. eta vs tors. theta energy: -135.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1563.725038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.725038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.725038 (E_RNA)
where:
Base-Base interactions energy: -1038.755
where: short stacking energy: -461.721
Base-Backbone interact. energy: 0.684
local terms energy: -525.654770
where:
bonds (distance) C4'-P energy: -111.208
bonds (distance) P-C4' energy: -135.030
flat angles C4'-P-C4' energy: -111.091
flat angles P-C4'-P energy: -71.447
tors. eta vs tors. theta energy: -96.878
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: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1338.483503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.483503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.483503 (E_RNA)
where:
Base-Base interactions energy: -862.620
where: short stacking energy: -409.572
Base-Backbone interact. energy: 1.533
local terms energy: -477.396737
where:
bonds (distance) C4'-P energy: -123.983
bonds (distance) P-C4' energy: -117.807
flat angles C4'-P-C4' energy: -110.843
flat angles P-C4'-P energy: -59.207
tors. eta vs tors. theta energy: -65.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1141.530388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.530388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.530388 (E_RNA)
where:
Base-Base interactions energy: -683.791
where: short stacking energy: -315.345
Base-Backbone interact. energy: -1.199
local terms energy: -456.540623
where:
bonds (distance) C4'-P energy: -119.989
bonds (distance) P-C4' energy: -136.795
flat angles C4'-P-C4' energy: -103.064
flat angles P-C4'-P energy: -47.330
tors. eta vs tors. theta energy: -49.363
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2512.261559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.261559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.261559 (E_RNA)
where:
Base-Base interactions energy: -1752.299
where: short stacking energy: -739.816
Base-Backbone interact. energy: -4.243
local terms energy: -755.720177
where:
bonds (distance) C4'-P energy: -143.706
bonds (distance) P-C4' energy: -126.155
flat angles C4'-P-C4' energy: -155.329
flat angles P-C4'-P energy: -116.630
tors. eta vs tors. theta energy: -213.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2553.886754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.886754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.886754 (E_RNA)
where:
Base-Base interactions energy: -1821.119
where: short stacking energy: -757.314
Base-Backbone interact. energy: -3.817
local terms energy: -728.950290
where:
bonds (distance) C4'-P energy: -124.720
bonds (distance) P-C4' energy: -140.007
flat angles C4'-P-C4' energy: -148.291
flat angles P-C4'-P energy: -109.254
tors. eta vs tors. theta energy: -206.679
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: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2331.657793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.657793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.657793 (E_RNA)
where:
Base-Base interactions energy: -1585.484
where: short stacking energy: -678.713
Base-Backbone interact. energy: -1.504
local terms energy: -744.669304
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -148.932
flat angles C4'-P-C4' energy: -153.216
flat angles P-C4'-P energy: -105.985
tors. eta vs tors. theta energy: -204.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2186.912471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.912471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.912471 (E_RNA)
where:
Base-Base interactions energy: -1509.872
where: short stacking energy: -676.972
Base-Backbone interact. energy: -1.178
local terms energy: -675.862007
where:
bonds (distance) C4'-P energy: -118.559
bonds (distance) P-C4' energy: -133.754
flat angles C4'-P-C4' energy: -142.194
flat angles P-C4'-P energy: -97.014
tors. eta vs tors. theta energy: -184.341
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: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -2097.801835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.801835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.801835 (E_RNA)
where:
Base-Base interactions energy: -1425.292
where: short stacking energy: -660.430
Base-Backbone interact. energy: -2.303
local terms energy: -670.206959
where:
bonds (distance) C4'-P energy: -117.392
bonds (distance) P-C4' energy: -131.647
flat angles C4'-P-C4' energy: -140.505
flat angles P-C4'-P energy: -91.404
tors. eta vs tors. theta energy: -189.259
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: 6
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1964.974230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.974230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.974230 (E_RNA)
where:
Base-Base interactions energy: -1359.700
where: short stacking energy: -586.242
Base-Backbone interact. energy: 6.445
local terms energy: -611.718532
where:
bonds (distance) C4'-P energy: -132.499
bonds (distance) P-C4' energy: -112.829
flat angles C4'-P-C4' energy: -140.656
flat angles P-C4'-P energy: -92.910
tors. eta vs tors. theta energy: -132.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1852.224543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.224543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.224543 (E_RNA)
where:
Base-Base interactions energy: -1253.702
where: short stacking energy: -538.068
Base-Backbone interact. energy: -4.683
local terms energy: -593.839212
where:
bonds (distance) C4'-P energy: -118.347
bonds (distance) P-C4' energy: -126.427
flat angles C4'-P-C4' energy: -140.878
flat angles P-C4'-P energy: -73.313
tors. eta vs tors. theta energy: -134.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1559.832592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.832592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.832592 (E_RNA)
where:
Base-Base interactions energy: -1045.111
where: short stacking energy: -474.035
Base-Backbone interact. energy: -3.665
local terms energy: -511.056526
where:
bonds (distance) C4'-P energy: -83.718
bonds (distance) P-C4' energy: -128.953
flat angles C4'-P-C4' energy: -107.046
flat angles P-C4'-P energy: -80.720
tors. eta vs tors. theta energy: -110.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1318.962920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.962920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.962920 (E_RNA)
where:
Base-Base interactions energy: -875.335
where: short stacking energy: -405.477
Base-Backbone interact. energy: -1.708
local terms energy: -441.919854
where:
bonds (distance) C4'-P energy: -100.994
bonds (distance) P-C4' energy: -102.400
flat angles C4'-P-C4' energy: -103.853
flat angles P-C4'-P energy: -72.312
tors. eta vs tors. theta energy: -62.361
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: 8
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1104.195080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.195080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.195080 (E_RNA)
where:
Base-Base interactions energy: -675.282
where: short stacking energy: -305.069
Base-Backbone interact. energy: 3.118
local terms energy: -432.030564
where:
bonds (distance) C4'-P energy: -98.857
bonds (distance) P-C4' energy: -114.546
flat angles C4'-P-C4' energy: -100.916
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -40.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2611.146579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.146579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.146579 (E_RNA)
where:
Base-Base interactions energy: -1861.380
where: short stacking energy: -769.237
Base-Backbone interact. energy: 1.031
local terms energy: -750.797873
where:
bonds (distance) C4'-P energy: -129.226
bonds (distance) P-C4' energy: -133.378
flat angles C4'-P-C4' energy: -156.170
flat angles P-C4'-P energy: -109.203
tors. eta vs tors. theta energy: -222.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2481.305563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.305563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.305563 (E_RNA)
where:
Base-Base interactions energy: -1760.472
where: short stacking energy: -750.192
Base-Backbone interact. energy: -8.182
local terms energy: -712.651774
where:
bonds (distance) C4'-P energy: -122.735
bonds (distance) P-C4' energy: -136.699
flat angles C4'-P-C4' energy: -146.664
flat angles P-C4'-P energy: -94.572
tors. eta vs tors. theta energy: -211.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2331.886601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.886601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.886601 (E_RNA)
where:
Base-Base interactions energy: -1610.702
where: short stacking energy: -704.829
Base-Backbone interact. energy: 1.509
local terms energy: -722.693339
where:
bonds (distance) C4'-P energy: -129.431
bonds (distance) P-C4' energy: -134.613
flat angles C4'-P-C4' energy: -154.617
flat angles P-C4'-P energy: -105.609
tors. eta vs tors. theta energy: -198.423
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: 4
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2177.633762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.633762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.633762 (E_RNA)
where:
Base-Base interactions energy: -1502.326
where: short stacking energy: -677.264
Base-Backbone interact. energy: -2.763
local terms energy: -672.544845
where:
bonds (distance) C4'-P energy: -131.554
bonds (distance) P-C4' energy: -120.780
flat angles C4'-P-C4' energy: -146.615
flat angles P-C4'-P energy: -93.540
tors. eta vs tors. theta energy: -180.055
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: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -2090.403961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.403961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.403961 (E_RNA)
where:
Base-Base interactions energy: -1437.166
where: short stacking energy: -646.579
Base-Backbone interact. energy: -2.039
local terms energy: -651.199812
where:
bonds (distance) C4'-P energy: -123.755
bonds (distance) P-C4' energy: -119.911
flat angles C4'-P-C4' energy: -140.793
flat angles P-C4'-P energy: -90.578
tors. eta vs tors. theta energy: -176.163
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: 6
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1962.964542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.964542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.964542 (E_RNA)
where:
Base-Base interactions energy: -1366.066
where: short stacking energy: -572.351
Base-Backbone interact. energy: 3.083
local terms energy: -599.981605
where:
bonds (distance) C4'-P energy: -118.043
bonds (distance) P-C4' energy: -129.481
flat angles C4'-P-C4' energy: -123.462
flat angles P-C4'-P energy: -80.253
tors. eta vs tors. theta energy: -148.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1852.062059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.062059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.062059 (E_RNA)
where:
Base-Base interactions energy: -1271.741
where: short stacking energy: -538.117
Base-Backbone interact. energy: -0.967
local terms energy: -579.354384
where:
bonds (distance) C4'-P energy: -113.143
bonds (distance) P-C4' energy: -119.384
flat angles C4'-P-C4' energy: -129.004
flat angles P-C4'-P energy: -94.369
tors. eta vs tors. theta energy: -123.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1630.231598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.231598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.231598 (E_RNA)
where:
Base-Base interactions energy: -1091.491
where: short stacking energy: -497.946
Base-Backbone interact. energy: -5.530
local terms energy: -533.211352
where:
bonds (distance) C4'-P energy: -100.947
bonds (distance) P-C4' energy: -140.205
flat angles C4'-P-C4' energy: -103.956
flat angles P-C4'-P energy: -76.224
tors. eta vs tors. theta energy: -111.879
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: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1336.901306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.901306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.901306 (E_RNA)
where:
Base-Base interactions energy: -860.180
where: short stacking energy: -364.343
Base-Backbone interact. energy: 5.979
local terms energy: -482.700258
where:
bonds (distance) C4'-P energy: -112.353
bonds (distance) P-C4' energy: -123.013
flat angles C4'-P-C4' energy: -117.423
flat angles P-C4'-P energy: -78.529
tors. eta vs tors. theta energy: -51.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -1074.614951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.614951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.614951 (E_RNA)
where:
Base-Base interactions energy: -646.050
where: short stacking energy: -296.721
Base-Backbone interact. energy: 0.211
local terms energy: -428.775487
where:
bonds (distance) C4'-P energy: -101.261
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -99.994
flat angles P-C4'-P energy: -77.177
tors. eta vs tors. theta energy: -41.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2566.659085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.659085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.659085 (E_RNA)
where:
Base-Base interactions energy: -1819.152
where: short stacking energy: -752.469
Base-Backbone interact. energy: -1.049
local terms energy: -746.457909
where:
bonds (distance) C4'-P energy: -139.518
bonds (distance) P-C4' energy: -142.030
flat angles C4'-P-C4' energy: -149.755
flat angles P-C4'-P energy: -110.404
tors. eta vs tors. theta energy: -204.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2454.296473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.296473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.296473 (E_RNA)
where:
Base-Base interactions energy: -1712.252
where: short stacking energy: -713.799
Base-Backbone interact. energy: -2.532
local terms energy: -739.512928
where:
bonds (distance) C4'-P energy: -127.342
bonds (distance) P-C4' energy: -143.908
flat angles C4'-P-C4' energy: -150.737
flat angles P-C4'-P energy: -113.774
tors. eta vs tors. theta energy: -203.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2326.382088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.382088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.382088 (E_RNA)
where:
Base-Base interactions energy: -1620.137
where: short stacking energy: -734.632
Base-Backbone interact. energy: 0.816
local terms energy: -707.061525
where:
bonds (distance) C4'-P energy: -124.527
bonds (distance) P-C4' energy: -139.367
flat angles C4'-P-C4' energy: -139.441
flat angles P-C4'-P energy: -91.865
tors. eta vs tors. theta energy: -211.861
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: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2170.262619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.262619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.262619 (E_RNA)
where:
Base-Base interactions energy: -1500.237
where: short stacking energy: -648.030
Base-Backbone interact. energy: -4.859
local terms energy: -665.166869
where:
bonds (distance) C4'-P energy: -118.361
bonds (distance) P-C4' energy: -120.105
flat angles C4'-P-C4' energy: -159.002
flat angles P-C4'-P energy: -88.048
tors. eta vs tors. theta energy: -179.651
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: 10
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -2027.641108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.641108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.641108 (E_RNA)
where:
Base-Base interactions energy: -1371.270
where: short stacking energy: -615.960
Base-Backbone interact. energy: -1.227
local terms energy: -655.144030
where:
bonds (distance) C4'-P energy: -117.875
bonds (distance) P-C4' energy: -121.992
flat angles C4'-P-C4' energy: -143.833
flat angles P-C4'-P energy: -97.970
tors. eta vs tors. theta energy: -173.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1975.260621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.260621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.260621 (E_RNA)
where:
Base-Base interactions energy: -1381.316
where: short stacking energy: -612.379
Base-Backbone interact. energy: 0.952
local terms energy: -594.896727
where:
bonds (distance) C4'-P energy: -97.748
bonds (distance) P-C4' energy: -107.902
flat angles C4'-P-C4' energy: -141.493
flat angles P-C4'-P energy: -87.134
tors. eta vs tors. theta energy: -160.619
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1884.834135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.834135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.834135 (E_RNA)
where:
Base-Base interactions energy: -1304.301
where: short stacking energy: -528.930
Base-Backbone interact. energy: 5.198
local terms energy: -585.731133
where:
bonds (distance) C4'-P energy: -120.082
bonds (distance) P-C4' energy: -128.876
flat angles C4'-P-C4' energy: -124.904
flat angles P-C4'-P energy: -73.308
tors. eta vs tors. theta energy: -138.561
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: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1529.764091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.764091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.764091 (E_RNA)
where:
Base-Base interactions energy: -1010.860
where: short stacking energy: -460.002
Base-Backbone interact. energy: -1.767
local terms energy: -517.137532
where:
bonds (distance) C4'-P energy: -101.998
bonds (distance) P-C4' energy: -124.848
flat angles C4'-P-C4' energy: -115.075
flat angles P-C4'-P energy: -75.482
tors. eta vs tors. theta energy: -99.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1288.905292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.905292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.905292 (E_RNA)
where:
Base-Base interactions energy: -834.691
where: short stacking energy: -384.386
Base-Backbone interact. energy: 2.903
local terms energy: -457.117175
where:
bonds (distance) C4'-P energy: -106.920
bonds (distance) P-C4' energy: -124.128
flat angles C4'-P-C4' energy: -106.995
flat angles P-C4'-P energy: -61.560
tors. eta vs tors. theta energy: -57.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1092.737774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.737774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.737774 (E_RNA)
where:
Base-Base interactions energy: -681.793
where: short stacking energy: -334.960
Base-Backbone interact. energy: 0.561
local terms energy: -411.505779
where:
bonds (distance) C4'-P energy: -86.632
bonds (distance) P-C4' energy: -95.648
flat angles C4'-P-C4' energy: -119.451
flat angles P-C4'-P energy: -56.529
tors. eta vs tors. theta energy: -53.246
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: 158
Temperature: 0.900000
Total energy: -2591.230851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.230851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.230851 (E_RNA)
where:
Base-Base interactions energy: -1829.713
where: short stacking energy: -752.612
Base-Backbone interact. energy: -6.930
local terms energy: -754.588543
where:
bonds (distance) C4'-P energy: -131.287
bonds (distance) P-C4' energy: -138.959
flat angles C4'-P-C4' energy: -161.250
flat angles P-C4'-P energy: -106.948
tors. eta vs tors. theta energy: -216.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2449.392535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.392535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.392535 (E_RNA)
where:
Base-Base interactions energy: -1716.062
where: short stacking energy: -723.354
Base-Backbone interact. energy: -2.881
local terms energy: -730.449574
where:
bonds (distance) C4'-P energy: -132.212
bonds (distance) P-C4' energy: -142.109
flat angles C4'-P-C4' energy: -154.370
flat angles P-C4'-P energy: -105.089
tors. eta vs tors. theta energy: -196.670
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: 3, replica: 5
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2333.635338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.635338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.635338 (E_RNA)
where:
Base-Base interactions energy: -1629.919
where: short stacking energy: -718.751
Base-Backbone interact. energy: -2.017
local terms energy: -701.698919
where:
bonds (distance) C4'-P energy: -128.846
bonds (distance) P-C4' energy: -122.397
flat angles C4'-P-C4' energy: -155.538
flat angles P-C4'-P energy: -88.106
tors. eta vs tors. theta energy: -206.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2213.617873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.617873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.617873 (E_RNA)
where:
Base-Base interactions energy: -1525.608
where: short stacking energy: -680.380
Base-Backbone interact. energy: -1.065
local terms energy: -686.945322
where:
bonds (distance) C4'-P energy: -119.213
bonds (distance) P-C4' energy: -142.760
flat angles C4'-P-C4' energy: -148.345
flat angles P-C4'-P energy: -92.772
tors. eta vs tors. theta energy: -183.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -2019.211875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.211875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.211875 (E_RNA)
where:
Base-Base interactions energy: -1377.073
where: short stacking energy: -615.611
Base-Backbone interact. energy: -1.918
local terms energy: -640.220032
where:
bonds (distance) C4'-P energy: -132.647
bonds (distance) P-C4' energy: -109.443
flat angles C4'-P-C4' energy: -144.070
flat angles P-C4'-P energy: -102.739
tors. eta vs tors. theta energy: -151.321
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: 158
Temperature: 1.150000
Total energy: -1936.393467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.393467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.393467 (E_RNA)
where:
Base-Base interactions energy: -1318.027
where: short stacking energy: -576.367
Base-Backbone interact. energy: -4.150
local terms energy: -614.216028
where:
bonds (distance) C4'-P energy: -112.867
bonds (distance) P-C4' energy: -133.428
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -86.652
tors. eta vs tors. theta energy: -145.061
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: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1915.774782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.774782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.774782 (E_RNA)
where:
Base-Base interactions energy: -1321.729
where: short stacking energy: -585.304
Base-Backbone interact. energy: -1.512
local terms energy: -592.533342
where:
bonds (distance) C4'-P energy: -101.495
bonds (distance) P-C4' energy: -123.136
flat angles C4'-P-C4' energy: -121.278
flat angles P-C4'-P energy: -93.883
tors. eta vs tors. theta energy: -152.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1527.857043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.857043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.857043 (E_RNA)
where:
Base-Base interactions energy: -1006.570
where: short stacking energy: -462.912
Base-Backbone interact. energy: 5.435
local terms energy: -526.721752
where:
bonds (distance) C4'-P energy: -113.607
bonds (distance) P-C4' energy: -114.609
flat angles C4'-P-C4' energy: -127.531
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -101.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1253.742356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.742356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.742356 (E_RNA)
where:
Base-Base interactions energy: -788.967
where: short stacking energy: -333.170
Base-Backbone interact. energy: 0.331
local terms energy: -465.106159
where:
bonds (distance) C4'-P energy: -122.886
bonds (distance) P-C4' energy: -111.610
flat angles C4'-P-C4' energy: -107.803
flat angles P-C4'-P energy: -87.028
tors. eta vs tors. theta energy: -35.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1093.287491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.287491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.287491 (E_RNA)
where:
Base-Base interactions energy: -657.920
where: short stacking energy: -335.401
Base-Backbone interact. energy: 1.865
local terms energy: -437.232576
where:
bonds (distance) C4'-P energy: -99.144
bonds (distance) P-C4' energy: -121.469
flat angles C4'-P-C4' energy: -116.719
flat angles P-C4'-P energy: -50.440
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2569.134165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.134165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.134165 (E_RNA)
where:
Base-Base interactions energy: -1807.002
where: short stacking energy: -755.782
Base-Backbone interact. energy: -3.278
local terms energy: -758.853758
where:
bonds (distance) C4'-P energy: -144.418
bonds (distance) P-C4' energy: -143.826
flat angles C4'-P-C4' energy: -156.513
flat angles P-C4'-P energy: -101.146
tors. eta vs tors. theta energy: -212.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2454.840421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.840421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.840421 (E_RNA)
where:
Base-Base interactions energy: -1708.655
where: short stacking energy: -740.241
Base-Backbone interact. energy: -2.564
local terms energy: -743.621199
where:
bonds (distance) C4'-P energy: -129.812
bonds (distance) P-C4' energy: -138.869
flat angles C4'-P-C4' energy: -156.353
flat angles P-C4'-P energy: -109.646
tors. eta vs tors. theta energy: -208.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2338.724966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.724966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.724966 (E_RNA)
where:
Base-Base interactions energy: -1639.646
where: short stacking energy: -709.780
Base-Backbone interact. energy: -0.143
local terms energy: -698.936473
where:
bonds (distance) C4'-P energy: -122.513
bonds (distance) P-C4' energy: -143.130
flat angles C4'-P-C4' energy: -147.962
flat angles P-C4'-P energy: -82.680
tors. eta vs tors. theta energy: -202.653
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: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2197.448700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.448700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.448700 (E_RNA)
where:
Base-Base interactions energy: -1504.532
where: short stacking energy: -657.879
Base-Backbone interact. energy: -0.019
local terms energy: -692.897611
where:
bonds (distance) C4'-P energy: -118.785
bonds (distance) P-C4' energy: -141.349
flat angles C4'-P-C4' energy: -148.393
flat angles P-C4'-P energy: -97.870
tors. eta vs tors. theta energy: -186.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -2054.156487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.156487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.156487 (E_RNA)
where:
Base-Base interactions energy: -1392.152
where: short stacking energy: -598.081
Base-Backbone interact. energy: -2.068
local terms energy: -659.936708
where:
bonds (distance) C4'-P energy: -122.807
bonds (distance) P-C4' energy: -130.125
flat angles C4'-P-C4' energy: -152.116
flat angles P-C4'-P energy: -88.994
tors. eta vs tors. theta energy: -165.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1987.278120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.278120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.278120 (E_RNA)
where:
Base-Base interactions energy: -1336.418
where: short stacking energy: -597.483
Base-Backbone interact. energy: -0.543
local terms energy: -650.317247
where:
bonds (distance) C4'-P energy: -115.535
bonds (distance) P-C4' energy: -124.461
flat angles C4'-P-C4' energy: -137.324
flat angles P-C4'-P energy: -101.903
tors. eta vs tors. theta energy: -171.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1873.850422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.850422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.850422 (E_RNA)
where:
Base-Base interactions energy: -1284.873
where: short stacking energy: -535.274
Base-Backbone interact. energy: -2.211
local terms energy: -586.766779
where:
bonds (distance) C4'-P energy: -115.865
bonds (distance) P-C4' energy: -121.910
flat angles C4'-P-C4' energy: -127.477
flat angles P-C4'-P energy: -80.328
tors. eta vs tors. theta energy: -141.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1554.707532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.707532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.707532 (E_RNA)
where:
Base-Base interactions energy: -1038.568
where: short stacking energy: -452.322
Base-Backbone interact. energy: 2.617
local terms energy: -518.757117
where:
bonds (distance) C4'-P energy: -96.030
bonds (distance) P-C4' energy: -117.122
flat angles C4'-P-C4' energy: -127.744
flat angles P-C4'-P energy: -81.575
tors. eta vs tors. theta energy: -96.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1319.565216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.565216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.565216 (E_RNA)
where:
Base-Base interactions energy: -847.174
where: short stacking energy: -389.188
Base-Backbone interact. energy: 2.966
local terms energy: -475.357080
where:
bonds (distance) C4'-P energy: -97.964
bonds (distance) P-C4' energy: -118.183
flat angles C4'-P-C4' energy: -118.061
flat angles P-C4'-P energy: -75.260
tors. eta vs tors. theta energy: -65.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1080.567562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.567562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.567562 (E_RNA)
where:
Base-Base interactions energy: -662.975
where: short stacking energy: -342.058
Base-Backbone interact. energy: -1.794
local terms energy: -415.798994
where:
bonds (distance) C4'-P energy: -102.361
bonds (distance) P-C4' energy: -115.867
flat angles C4'-P-C4' energy: -87.937
flat angles P-C4'-P energy: -70.495
tors. eta vs tors. theta energy: -39.139
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: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2590.992812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.992812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.992812 (E_RNA)
where:
Base-Base interactions energy: -1828.802
where: short stacking energy: -750.745
Base-Backbone interact. energy: 3.378
local terms energy: -765.568965
where:
bonds (distance) C4'-P energy: -144.874
bonds (distance) P-C4' energy: -136.953
flat angles C4'-P-C4' energy: -164.197
flat angles P-C4'-P energy: -104.288
tors. eta vs tors. theta energy: -215.258
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: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2473.690270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.690270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.690270 (E_RNA)
where:
Base-Base interactions energy: -1769.094
where: short stacking energy: -723.047
Base-Backbone interact. energy: -0.817
local terms energy: -703.779731
where:
bonds (distance) C4'-P energy: -116.092
bonds (distance) P-C4' energy: -129.495
flat angles C4'-P-C4' energy: -158.912
flat angles P-C4'-P energy: -96.652
tors. eta vs tors. theta energy: -202.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2354.377652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.377652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.377652 (E_RNA)
where:
Base-Base interactions energy: -1610.558
where: short stacking energy: -701.910
Base-Backbone interact. energy: -2.897
local terms energy: -740.921710
where:
bonds (distance) C4'-P energy: -134.175
bonds (distance) P-C4' energy: -137.230
flat angles C4'-P-C4' energy: -157.465
flat angles P-C4'-P energy: -100.161
tors. eta vs tors. theta energy: -211.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2187.081269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.081269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.081269 (E_RNA)
where:
Base-Base interactions energy: -1511.150
where: short stacking energy: -682.473
Base-Backbone interact. energy: -1.071
local terms energy: -674.860571
where:
bonds (distance) C4'-P energy: -133.482
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -146.481
flat angles P-C4'-P energy: -88.434
tors. eta vs tors. theta energy: -179.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -2067.306505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.306505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.306505 (E_RNA)
where:
Base-Base interactions energy: -1424.199
where: short stacking energy: -673.719
Base-Backbone interact. energy: -1.833
local terms energy: -641.275235
where:
bonds (distance) C4'-P energy: -108.065
bonds (distance) P-C4' energy: -125.560
flat angles C4'-P-C4' energy: -130.294
flat angles P-C4'-P energy: -100.602
tors. eta vs tors. theta energy: -176.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1970.858278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.858278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.858278 (E_RNA)
where:
Base-Base interactions energy: -1378.908
where: short stacking energy: -594.831
Base-Backbone interact. energy: -0.424
local terms energy: -591.526210
where:
bonds (distance) C4'-P energy: -119.416
bonds (distance) P-C4' energy: -120.113
flat angles C4'-P-C4' energy: -142.163
flat angles P-C4'-P energy: -51.888
tors. eta vs tors. theta energy: -157.946
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: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1940.801646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.801646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.801646 (E_RNA)
where:
Base-Base interactions energy: -1364.757
where: short stacking energy: -569.129
Base-Backbone interact. energy: -5.165
local terms energy: -570.879550
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -111.165
flat angles C4'-P-C4' energy: -142.743
flat angles P-C4'-P energy: -75.487
tors. eta vs tors. theta energy: -140.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1578.610924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.610924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.610924 (E_RNA)
where:
Base-Base interactions energy: -1048.717
where: short stacking energy: -450.729
Base-Backbone interact. energy: 2.931
local terms energy: -532.825435
where:
bonds (distance) C4'-P energy: -127.989
bonds (distance) P-C4' energy: -119.475
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -79.272
tors. eta vs tors. theta energy: -86.685
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1270.112181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.112181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.112181 (E_RNA)
where:
Base-Base interactions energy: -813.419
where: short stacking energy: -386.181
Base-Backbone interact. energy: -2.954
local terms energy: -453.739883
where:
bonds (distance) C4'-P energy: -111.417
bonds (distance) P-C4' energy: -116.607
flat angles C4'-P-C4' energy: -103.924
flat angles P-C4'-P energy: -62.240
tors. eta vs tors. theta energy: -59.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1096.909952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.909952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.909952 (E_RNA)
where:
Base-Base interactions energy: -693.074
where: short stacking energy: -318.835
Base-Backbone interact. energy: 0.993
local terms energy: -404.828676
where:
bonds (distance) C4'-P energy: -119.481
bonds (distance) P-C4' energy: -114.064
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -71.215
tors. eta vs tors. theta energy: -39.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2610.325729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.325729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.325729 (E_RNA)
where:
Base-Base interactions energy: -1865.718
where: short stacking energy: -763.495
Base-Backbone interact. energy: -5.775
local terms energy: -738.833141
where:
bonds (distance) C4'-P energy: -142.194
bonds (distance) P-C4' energy: -119.879
flat angles C4'-P-C4' energy: -158.267
flat angles P-C4'-P energy: -102.857
tors. eta vs tors. theta energy: -215.636
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: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2472.532343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.532343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.532343 (E_RNA)
where:
Base-Base interactions energy: -1711.859
where: short stacking energy: -723.341
Base-Backbone interact. energy: -3.309
local terms energy: -757.364927
where:
bonds (distance) C4'-P energy: -144.584
bonds (distance) P-C4' energy: -143.277
flat angles C4'-P-C4' energy: -167.877
flat angles P-C4'-P energy: -94.645
tors. eta vs tors. theta energy: -206.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2331.756153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.756153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.756153 (E_RNA)
where:
Base-Base interactions energy: -1589.406
where: short stacking energy: -692.248
Base-Backbone interact. energy: -2.412
local terms energy: -739.938411
where:
bonds (distance) C4'-P energy: -125.563
bonds (distance) P-C4' energy: -148.283
flat angles C4'-P-C4' energy: -155.063
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -213.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2201.155743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.155743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.155743 (E_RNA)
where:
Base-Base interactions energy: -1527.306
where: short stacking energy: -652.715
Base-Backbone interact. energy: -1.927
local terms energy: -671.923141
where:
bonds (distance) C4'-P energy: -120.237
bonds (distance) P-C4' energy: -140.583
flat angles C4'-P-C4' energy: -138.846
flat angles P-C4'-P energy: -88.916
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: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -2018.680123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.680123 (E_RNA)
where:
Base-Base interactions energy: -1364.209
where: short stacking energy: -604.202
Base-Backbone interact. energy: -1.723
local terms energy: -652.747332
where:
bonds (distance) C4'-P energy: -123.319
bonds (distance) P-C4' energy: -133.164
flat angles C4'-P-C4' energy: -143.928
flat angles P-C4'-P energy: -92.847
tors. eta vs tors. theta energy: -159.488
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: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1921.596788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.596788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.596788 (E_RNA)
where:
Base-Base interactions energy: -1294.219
where: short stacking energy: -591.900
Base-Backbone interact. energy: -4.670
local terms energy: -622.708240
where:
bonds (distance) C4'-P energy: -116.883
bonds (distance) P-C4' energy: -133.851
flat angles C4'-P-C4' energy: -135.062
flat angles P-C4'-P energy: -82.433
tors. eta vs tors. theta energy: -154.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1887.195291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.195291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.195291 (E_RNA)
where:
Base-Base interactions energy: -1313.850
where: short stacking energy: -566.765
Base-Backbone interact. energy: -0.407
local terms energy: -572.937925
where:
bonds (distance) C4'-P energy: -106.095
bonds (distance) P-C4' energy: -131.812
flat angles C4'-P-C4' energy: -120.135
flat angles P-C4'-P energy: -77.886
tors. eta vs tors. theta energy: -137.010
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: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1628.101651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.101651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.101651 (E_RNA)
where:
Base-Base interactions energy: -1097.416
where: short stacking energy: -484.187
Base-Backbone interact. energy: 3.406
local terms energy: -534.091547
where:
bonds (distance) C4'-P energy: -117.661
bonds (distance) P-C4' energy: -122.635
flat angles C4'-P-C4' energy: -113.260
flat angles P-C4'-P energy: -77.045
tors. eta vs tors. theta energy: -103.491
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1282.224473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.224473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.224473 (E_RNA)
where:
Base-Base interactions energy: -856.037
where: short stacking energy: -384.966
Base-Backbone interact. energy: 1.757
local terms energy: -427.943918
where:
bonds (distance) C4'-P energy: -104.625
bonds (distance) P-C4' energy: -97.036
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -74.116
tors. eta vs tors. theta energy: -41.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1090.048068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.048068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.048068 (E_RNA)
where:
Base-Base interactions energy: -661.947
where: short stacking energy: -303.354
Base-Backbone interact. energy: -2.720
local terms energy: -425.381685
where:
bonds (distance) C4'-P energy: -108.646
bonds (distance) P-C4' energy: -96.029
flat angles C4'-P-C4' energy: -99.580
flat angles P-C4'-P energy: -64.376
tors. eta vs tors. theta energy: -56.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2622.457647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.457647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.457647 (E_RNA)
where:
Base-Base interactions energy: -1858.625
where: short stacking energy: -753.835
Base-Backbone interact. energy: -6.981
local terms energy: -756.852075
where:
bonds (distance) C4'-P energy: -136.522
bonds (distance) P-C4' energy: -138.415
flat angles C4'-P-C4' energy: -164.478
flat angles P-C4'-P energy: -108.680
tors. eta vs tors. theta energy: -208.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2456.284712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.284712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.284712 (E_RNA)
where:
Base-Base interactions energy: -1744.174
where: short stacking energy: -728.072
Base-Backbone interact. energy: -0.414
local terms energy: -711.696621
where:
bonds (distance) C4'-P energy: -131.398
bonds (distance) P-C4' energy: -118.269
flat angles C4'-P-C4' energy: -147.187
flat angles P-C4'-P energy: -112.687
tors. eta vs tors. theta energy: -202.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2365.879310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.879310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.879310 (E_RNA)
where:
Base-Base interactions energy: -1642.342
where: short stacking energy: -719.054
Base-Backbone interact. energy: 0.274
local terms energy: -723.810704
where:
bonds (distance) C4'-P energy: -131.090
bonds (distance) P-C4' energy: -142.895
flat angles C4'-P-C4' energy: -151.290
flat angles P-C4'-P energy: -92.592
tors. eta vs tors. theta energy: -205.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2216.532955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.532955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.532955 (E_RNA)
where:
Base-Base interactions energy: -1519.717
where: short stacking energy: -654.385
Base-Backbone interact. energy: -4.732
local terms energy: -692.083993
where:
bonds (distance) C4'-P energy: -127.234
bonds (distance) P-C4' energy: -122.631
flat angles C4'-P-C4' energy: -158.798
flat angles P-C4'-P energy: -100.269
tors. eta vs tors. theta energy: -183.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1989.588306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.588306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.588306 (E_RNA)
where:
Base-Base interactions energy: -1358.061
where: short stacking energy: -601.845
Base-Backbone interact. energy: -0.977
local terms energy: -630.549552
where:
bonds (distance) C4'-P energy: -122.491
bonds (distance) P-C4' energy: -126.467
flat angles C4'-P-C4' energy: -135.691
flat angles P-C4'-P energy: -86.870
tors. eta vs tors. theta energy: -159.031
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: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1942.144057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.144057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.144057 (E_RNA)
where:
Base-Base interactions energy: -1342.609
where: short stacking energy: -560.677
Base-Backbone interact. energy: -1.987
local terms energy: -597.548209
where:
bonds (distance) C4'-P energy: -102.349
bonds (distance) P-C4' energy: -120.584
flat angles C4'-P-C4' energy: -129.177
flat angles P-C4'-P energy: -94.289
tors. eta vs tors. theta energy: -151.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1911.721671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.721671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.721671 (E_RNA)
where:
Base-Base interactions energy: -1334.945
where: short stacking energy: -564.906
Base-Backbone interact. energy: -0.843
local terms energy: -575.933782
where:
bonds (distance) C4'-P energy: -106.124
bonds (distance) P-C4' energy: -128.571
flat angles C4'-P-C4' energy: -121.415
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -132.590
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: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1647.633080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.633080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.633080 (E_RNA)
where:
Base-Base interactions energy: -1112.014
where: short stacking energy: -484.479
Base-Backbone interact. energy: 5.919
local terms energy: -541.538641
where:
bonds (distance) C4'-P energy: -109.733
bonds (distance) P-C4' energy: -131.744
flat angles C4'-P-C4' energy: -132.983
flat angles P-C4'-P energy: -60.643
tors. eta vs tors. theta energy: -106.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1282.556844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.556844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.556844 (E_RNA)
where:
Base-Base interactions energy: -816.283
where: short stacking energy: -370.432
Base-Backbone interact. energy: -0.991
local terms energy: -465.283357
where:
bonds (distance) C4'-P energy: -107.592
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -110.018
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -64.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1140.651091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.651091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.651091 (E_RNA)
where:
Base-Base interactions energy: -692.883
where: short stacking energy: -326.377
Base-Backbone interact. energy: -0.225
local terms energy: -447.543343
where:
bonds (distance) C4'-P energy: -92.891
bonds (distance) P-C4' energy: -124.593
flat angles C4'-P-C4' energy: -120.414
flat angles P-C4'-P energy: -67.324
tors. eta vs tors. theta energy: -42.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2579.091529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.091529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.091529 (E_RNA)
where:
Base-Base interactions energy: -1819.999
where: short stacking energy: -745.561
Base-Backbone interact. energy: -2.995
local terms energy: -756.098085
where:
bonds (distance) C4'-P energy: -118.739
bonds (distance) P-C4' energy: -143.428
flat angles C4'-P-C4' energy: -163.522
flat angles P-C4'-P energy: -118.825
tors. eta vs tors. theta energy: -211.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2473.273814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.273814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.273814 (E_RNA)
where:
Base-Base interactions energy: -1771.841
where: short stacking energy: -722.357
Base-Backbone interact. energy: -1.294
local terms energy: -700.138887
where:
bonds (distance) C4'-P energy: -132.762
bonds (distance) P-C4' energy: -141.997
flat angles C4'-P-C4' energy: -137.786
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: -202.148
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: 5
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2401.241978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.241978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.241978 (E_RNA)
where:
Base-Base interactions energy: -1672.338
where: short stacking energy: -740.284
Base-Backbone interact. energy: -4.006
local terms energy: -724.897243
where:
bonds (distance) C4'-P energy: -137.263
bonds (distance) P-C4' energy: -121.888
flat angles C4'-P-C4' energy: -159.377
flat angles P-C4'-P energy: -90.658
tors. eta vs tors. theta energy: -215.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2230.773026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.773026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.773026 (E_RNA)
where:
Base-Base interactions energy: -1566.209
where: short stacking energy: -703.414
Base-Backbone interact. energy: -2.152
local terms energy: -662.412097
where:
bonds (distance) C4'-P energy: -129.608
bonds (distance) P-C4' energy: -112.027
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -91.577
tors. eta vs tors. theta energy: -192.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -2079.462267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.462267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.462267 (E_RNA)
where:
Base-Base interactions energy: -1424.914
where: short stacking energy: -620.173
Base-Backbone interact. energy: -1.592
local terms energy: -652.956315
where:
bonds (distance) C4'-P energy: -126.264
bonds (distance) P-C4' energy: -126.790
flat angles C4'-P-C4' energy: -153.424
flat angles P-C4'-P energy: -85.129
tors. eta vs tors. theta energy: -161.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1985.834032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.834032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.834032 (E_RNA)
where:
Base-Base interactions energy: -1361.522
where: short stacking energy: -616.905
Base-Backbone interact. energy: -0.990
local terms energy: -623.321994
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -125.331
flat angles C4'-P-C4' energy: -133.070
flat angles P-C4'-P energy: -85.763
tors. eta vs tors. theta energy: -162.235
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: 163
Temperature: 1.200000
Total energy: -1927.260498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.260498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.260498 (E_RNA)
where:
Base-Base interactions energy: -1345.835
where: short stacking energy: -550.706
Base-Backbone interact. energy: -0.370
local terms energy: -581.055251
where:
bonds (distance) C4'-P energy: -112.965
bonds (distance) P-C4' energy: -114.174
flat angles C4'-P-C4' energy: -135.607
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -138.241
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: 8, replica: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1644.312746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.312746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.312746 (E_RNA)
where:
Base-Base interactions energy: -1133.110
where: short stacking energy: -515.159
Base-Backbone interact. energy: 0.857
local terms energy: -512.059594
where:
bonds (distance) C4'-P energy: -99.784
bonds (distance) P-C4' energy: -116.681
flat angles C4'-P-C4' energy: -121.542
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: -107.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1326.697932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.697932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.697932 (E_RNA)
where:
Base-Base interactions energy: -846.862
where: short stacking energy: -378.449
Base-Backbone interact. energy: -0.340
local terms energy: -479.495084
where:
bonds (distance) C4'-P energy: -106.798
bonds (distance) P-C4' energy: -106.311
flat angles C4'-P-C4' energy: -109.982
flat angles P-C4'-P energy: -86.960
tors. eta vs tors. theta energy: -69.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -1076.411084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.411084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.411084 (E_RNA)
where:
Base-Base interactions energy: -634.884
where: short stacking energy: -303.087
Base-Backbone interact. energy: 1.185
local terms energy: -442.711588
where:
bonds (distance) C4'-P energy: -122.147
bonds (distance) P-C4' energy: -108.873
flat angles C4'-P-C4' energy: -109.229
flat angles P-C4'-P energy: -50.379
tors. eta vs tors. theta energy: -52.084
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: 164
Temperature: 0.900000
Total energy: -2580.890647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.890647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.890647 (E_RNA)
where:
Base-Base interactions energy: -1818.158
where: short stacking energy: -755.292
Base-Backbone interact. energy: -1.940
local terms energy: -760.792706
where:
bonds (distance) C4'-P energy: -147.935
bonds (distance) P-C4' energy: -133.112
flat angles C4'-P-C4' energy: -156.458
flat angles P-C4'-P energy: -106.448
tors. eta vs tors. theta energy: -216.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2476.745135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.745135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.745135 (E_RNA)
where:
Base-Base interactions energy: -1747.980
where: short stacking energy: -707.693
Base-Backbone interact. energy: -2.143
local terms energy: -726.622546
where:
bonds (distance) C4'-P energy: -129.344
bonds (distance) P-C4' energy: -143.834
flat angles C4'-P-C4' energy: -147.078
flat angles P-C4'-P energy: -112.979
tors. eta vs tors. theta energy: -193.387
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: 164
Temperature: 1.000000
Total energy: -2349.171931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.171931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.171931 (E_RNA)
where:
Base-Base interactions energy: -1618.651
where: short stacking energy: -727.770
Base-Backbone interact. energy: -1.107
local terms energy: -729.413969
where:
bonds (distance) C4'-P energy: -126.441
bonds (distance) P-C4' energy: -127.969
flat angles C4'-P-C4' energy: -154.559
flat angles P-C4'-P energy: -98.358
tors. eta vs tors. theta energy: -222.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2226.554292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.554292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.554292 (E_RNA)
where:
Base-Base interactions energy: -1524.492
where: short stacking energy: -674.428
Base-Backbone interact. energy: -3.048
local terms energy: -699.014090
where:
bonds (distance) C4'-P energy: -124.498
bonds (distance) P-C4' energy: -133.694
flat angles C4'-P-C4' energy: -135.026
flat angles P-C4'-P energy: -106.135
tors. eta vs tors. theta energy: -199.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1990.679230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.679230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.679230 (E_RNA)
where:
Base-Base interactions energy: -1386.847
where: short stacking energy: -585.423
Base-Backbone interact. energy: -4.450
local terms energy: -599.382468
where:
bonds (distance) C4'-P energy: -116.883
bonds (distance) P-C4' energy: -111.186
flat angles C4'-P-C4' energy: -147.802
flat angles P-C4'-P energy: -73.377
tors. eta vs tors. theta energy: -150.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -2014.782541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.782541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.782541 (E_RNA)
where:
Base-Base interactions energy: -1361.648
where: short stacking energy: -603.344
Base-Backbone interact. energy: -1.733
local terms energy: -651.401863
where:
bonds (distance) C4'-P energy: -122.097
bonds (distance) P-C4' energy: -114.461
flat angles C4'-P-C4' energy: -140.150
flat angles P-C4'-P energy: -93.993
tors. eta vs tors. theta energy: -180.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1877.498461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.498461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.498461 (E_RNA)
where:
Base-Base interactions energy: -1320.489
where: short stacking energy: -563.418
Base-Backbone interact. energy: -1.704
local terms energy: -555.305748
where:
bonds (distance) C4'-P energy: -112.389
bonds (distance) P-C4' energy: -107.436
flat angles C4'-P-C4' energy: -122.431
flat angles P-C4'-P energy: -87.222
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: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1538.488203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.488203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.488203 (E_RNA)
where:
Base-Base interactions energy: -1038.760
where: short stacking energy: -454.733
Base-Backbone interact. energy: -1.126
local terms energy: -498.602806
where:
bonds (distance) C4'-P energy: -94.416
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -114.912
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -97.752
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: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1347.992728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.992728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.992728 (E_RNA)
where:
Base-Base interactions energy: -883.329
where: short stacking energy: -393.979
Base-Backbone interact. energy: 5.766
local terms energy: -470.429678
where:
bonds (distance) C4'-P energy: -112.787
bonds (distance) P-C4' energy: -107.359
flat angles C4'-P-C4' energy: -131.906
flat angles P-C4'-P energy: -55.829
tors. eta vs tors. theta energy: -62.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -1032.299637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.299637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.299637 (E_RNA)
where:
Base-Base interactions energy: -639.983
where: short stacking energy: -328.516
Base-Backbone interact. energy: 4.261
local terms energy: -396.577508
where:
bonds (distance) C4'-P energy: -88.019
bonds (distance) P-C4' energy: -134.470
flat angles C4'-P-C4' energy: -92.371
flat angles P-C4'-P energy: -55.701
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2558.946024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.946024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.946024 (E_RNA)
where:
Base-Base interactions energy: -1806.631
where: short stacking energy: -750.533
Base-Backbone interact. energy: -3.161
local terms energy: -749.154488
where:
bonds (distance) C4'-P energy: -129.071
bonds (distance) P-C4' energy: -148.018
flat angles C4'-P-C4' energy: -159.785
flat angles P-C4'-P energy: -110.354
tors. eta vs tors. theta energy: -201.926
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: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2497.809684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.809684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.809684 (E_RNA)
where:
Base-Base interactions energy: -1752.199
where: short stacking energy: -732.035
Base-Backbone interact. energy: -2.139
local terms energy: -743.471904
where:
bonds (distance) C4'-P energy: -145.506
bonds (distance) P-C4' energy: -142.148
flat angles C4'-P-C4' energy: -155.372
flat angles P-C4'-P energy: -91.724
tors. eta vs tors. theta energy: -208.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2309.513245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.513245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.513245 (E_RNA)
where:
Base-Base interactions energy: -1577.193
where: short stacking energy: -715.501
Base-Backbone interact. energy: -4.290
local terms energy: -728.029894
where:
bonds (distance) C4'-P energy: -142.766
bonds (distance) P-C4' energy: -138.331
flat angles C4'-P-C4' energy: -140.232
flat angles P-C4'-P energy: -94.458
tors. eta vs tors. theta energy: -212.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2238.798522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.798522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.798522 (E_RNA)
where:
Base-Base interactions energy: -1565.200
where: short stacking energy: -673.269
Base-Backbone interact. energy: -4.375
local terms energy: -669.223552
where:
bonds (distance) C4'-P energy: -116.627
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -135.444
flat angles P-C4'-P energy: -102.390
tors. eta vs tors. theta energy: -181.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2002.413354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.413354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.413354 (E_RNA)
where:
Base-Base interactions energy: -1388.094
where: short stacking energy: -596.635
Base-Backbone interact. energy: -2.499
local terms energy: -611.821006
where:
bonds (distance) C4'-P energy: -120.888
bonds (distance) P-C4' energy: -119.658
flat angles C4'-P-C4' energy: -125.581
flat angles P-C4'-P energy: -83.838
tors. eta vs tors. theta energy: -161.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -2057.979510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.979510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.979510 (E_RNA)
where:
Base-Base interactions energy: -1414.661
where: short stacking energy: -633.371
Base-Backbone interact. energy: 0.069
local terms energy: -643.387916
where:
bonds (distance) C4'-P energy: -116.113
bonds (distance) P-C4' energy: -129.832
flat angles C4'-P-C4' energy: -129.286
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -174.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1809.181516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.181516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.181516 (E_RNA)
where:
Base-Base interactions energy: -1217.085
where: short stacking energy: -525.630
Base-Backbone interact. energy: 0.113
local terms energy: -592.210082
where:
bonds (distance) C4'-P energy: -109.272
bonds (distance) P-C4' energy: -129.836
flat angles C4'-P-C4' energy: -138.721
flat angles P-C4'-P energy: -87.899
tors. eta vs tors. theta energy: -126.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1571.664349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.664349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.664349 (E_RNA)
where:
Base-Base interactions energy: -1050.941
where: short stacking energy: -438.833
Base-Backbone interact. energy: -1.004
local terms energy: -519.719934
where:
bonds (distance) C4'-P energy: -118.005
bonds (distance) P-C4' energy: -110.327
flat angles C4'-P-C4' energy: -111.299
flat angles P-C4'-P energy: -90.440
tors. eta vs tors. theta energy: -89.649
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: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1389.374916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.374916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.374916 (E_RNA)
where:
Base-Base interactions energy: -903.676
where: short stacking energy: -393.462
Base-Backbone interact. energy: -1.559
local terms energy: -484.140069
where:
bonds (distance) C4'-P energy: -113.445
bonds (distance) P-C4' energy: -114.035
flat angles C4'-P-C4' energy: -113.881
flat angles P-C4'-P energy: -68.136
tors. eta vs tors. theta energy: -74.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -1020.454674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.454674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.454674 (E_RNA)
where:
Base-Base interactions energy: -596.915
where: short stacking energy: -285.726
Base-Backbone interact. energy: -1.921
local terms energy: -421.618414
where:
bonds (distance) C4'-P energy: -120.035
bonds (distance) P-C4' energy: -125.600
flat angles C4'-P-C4' energy: -104.792
flat angles P-C4'-P energy: -49.708
tors. eta vs tors. theta energy: -21.484
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: 166
Temperature: 0.900000
Total energy: -2587.712948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.712948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.712948 (E_RNA)
where:
Base-Base interactions energy: -1820.999
where: short stacking energy: -744.723
Base-Backbone interact. energy: -4.832
local terms energy: -761.882007
where:
bonds (distance) C4'-P energy: -141.514
bonds (distance) P-C4' energy: -143.425
flat angles C4'-P-C4' energy: -164.415
flat angles P-C4'-P energy: -103.379
tors. eta vs tors. theta energy: -209.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2498.295188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.295188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.295188 (E_RNA)
where:
Base-Base interactions energy: -1747.202
where: short stacking energy: -723.438
Base-Backbone interact. energy: -4.828
local terms energy: -746.264921
where:
bonds (distance) C4'-P energy: -142.348
bonds (distance) P-C4' energy: -149.061
flat angles C4'-P-C4' energy: -158.744
flat angles P-C4'-P energy: -87.749
tors. eta vs tors. theta energy: -208.363
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: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2308.475432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.475432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.475432 (E_RNA)
where:
Base-Base interactions energy: -1583.090
where: short stacking energy: -708.899
Base-Backbone interact. energy: -1.087
local terms energy: -724.297889
where:
bonds (distance) C4'-P energy: -127.021
bonds (distance) P-C4' energy: -141.747
flat angles C4'-P-C4' energy: -150.358
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -206.398
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: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2196.729930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.729930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.729930 (E_RNA)
where:
Base-Base interactions energy: -1493.143
where: short stacking energy: -680.873
Base-Backbone interact. energy: -4.112
local terms energy: -699.475270
where:
bonds (distance) C4'-P energy: -134.726
bonds (distance) P-C4' energy: -134.141
flat angles C4'-P-C4' energy: -159.709
flat angles P-C4'-P energy: -80.812
tors. eta vs tors. theta energy: -190.088
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: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2035.703792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.703792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.703792 (E_RNA)
where:
Base-Base interactions energy: -1419.386
where: short stacking energy: -595.709
Base-Backbone interact. energy: 1.247
local terms energy: -617.564578
where:
bonds (distance) C4'-P energy: -120.521
bonds (distance) P-C4' energy: -126.883
flat angles C4'-P-C4' energy: -140.650
flat angles P-C4'-P energy: -80.466
tors. eta vs tors. theta energy: -149.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -2016.487520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.487520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.487520 (E_RNA)
where:
Base-Base interactions energy: -1381.011
where: short stacking energy: -594.781
Base-Backbone interact. energy: 1.347
local terms energy: -636.823872
where:
bonds (distance) C4'-P energy: -116.130
bonds (distance) P-C4' energy: -131.219
flat angles C4'-P-C4' energy: -123.592
flat angles P-C4'-P energy: -97.624
tors. eta vs tors. theta energy: -168.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1861.868333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.868333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.868333 (E_RNA)
where:
Base-Base interactions energy: -1285.541
where: short stacking energy: -565.442
Base-Backbone interact. energy: -0.764
local terms energy: -575.563216
where:
bonds (distance) C4'-P energy: -101.193
bonds (distance) P-C4' energy: -120.850
flat angles C4'-P-C4' energy: -119.743
flat angles P-C4'-P energy: -89.993
tors. eta vs tors. theta energy: -143.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1574.007148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.007148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.007148 (E_RNA)
where:
Base-Base interactions energy: -1054.192
where: short stacking energy: -449.890
Base-Backbone interact. energy: -3.353
local terms energy: -516.462119
where:
bonds (distance) C4'-P energy: -100.991
bonds (distance) P-C4' energy: -117.422
flat angles C4'-P-C4' energy: -124.718
flat angles P-C4'-P energy: -85.101
tors. eta vs tors. theta energy: -88.229
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: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1308.219593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.219593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.219593 (E_RNA)
where:
Base-Base interactions energy: -857.702
where: short stacking energy: -379.195
Base-Backbone interact. energy: 0.894
local terms energy: -451.411844
where:
bonds (distance) C4'-P energy: -102.960
bonds (distance) P-C4' energy: -109.753
flat angles C4'-P-C4' energy: -123.896
flat angles P-C4'-P energy: -66.786
tors. eta vs tors. theta energy: -48.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -1039.250917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.250917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.250917 (E_RNA)
where:
Base-Base interactions energy: -621.757
where: short stacking energy: -291.214
Base-Backbone interact. energy: -0.885
local terms energy: -416.608165
where:
bonds (distance) C4'-P energy: -102.855
bonds (distance) P-C4' energy: -102.901
flat angles C4'-P-C4' energy: -108.467
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -36.254
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: 167
Temperature: 0.900000
Total energy: -2581.251594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.251594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.251594 (E_RNA)
where:
Base-Base interactions energy: -1846.136
where: short stacking energy: -777.605
Base-Backbone interact. energy: -2.224
local terms energy: -732.891584
where:
bonds (distance) C4'-P energy: -142.263
bonds (distance) P-C4' energy: -120.174
flat angles C4'-P-C4' energy: -148.826
flat angles P-C4'-P energy: -110.693
tors. eta vs tors. theta energy: -210.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -2489.851215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.851215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.851215 (E_RNA)
where:
Base-Base interactions energy: -1755.165
where: short stacking energy: -739.840
Base-Backbone interact. energy: -2.594
local terms energy: -732.091399
where:
bonds (distance) C4'-P energy: -135.172
bonds (distance) P-C4' energy: -128.020
flat angles C4'-P-C4' energy: -154.351
flat angles P-C4'-P energy: -108.175
tors. eta vs tors. theta energy: -206.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2306.492802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.492802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.492802 (E_RNA)
where:
Base-Base interactions energy: -1575.363
where: short stacking energy: -708.035
Base-Backbone interact. energy: -3.479
local terms energy: -727.651399
where:
bonds (distance) C4'-P energy: -131.759
bonds (distance) P-C4' energy: -144.886
flat angles C4'-P-C4' energy: -150.742
flat angles P-C4'-P energy: -106.337
tors. eta vs tors. theta energy: -193.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2256.069844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.069844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.069844 (E_RNA)
where:
Base-Base interactions energy: -1546.055
where: short stacking energy: -690.863
Base-Backbone interact. energy: -3.783
local terms energy: -706.232300
where:
bonds (distance) C4'-P energy: -133.222
bonds (distance) P-C4' energy: -133.093
flat angles C4'-P-C4' energy: -146.957
flat angles P-C4'-P energy: -94.742
tors. eta vs tors. theta energy: -198.219
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: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2102.913921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.913921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.913921 (E_RNA)
where:
Base-Base interactions energy: -1464.120
where: short stacking energy: -614.114
Base-Backbone interact. energy: -0.109
local terms energy: -638.685056
where:
bonds (distance) C4'-P energy: -120.486
bonds (distance) P-C4' energy: -134.194
flat angles C4'-P-C4' energy: -136.189
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -159.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1990.281394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.281394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.281394 (E_RNA)
where:
Base-Base interactions energy: -1344.571
where: short stacking energy: -577.707
Base-Backbone interact. energy: -3.384
local terms energy: -642.326851
where:
bonds (distance) C4'-P energy: -137.665
bonds (distance) P-C4' energy: -129.871
flat angles C4'-P-C4' energy: -130.258
flat angles P-C4'-P energy: -90.824
tors. eta vs tors. theta energy: -153.709
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: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1769.907198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.907198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.907198 (E_RNA)
where:
Base-Base interactions energy: -1233.310
where: short stacking energy: -531.278
Base-Backbone interact. energy: 0.779
local terms energy: -537.376138
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -105.644
flat angles C4'-P-C4' energy: -128.501
flat angles P-C4'-P energy: -71.815
tors. eta vs tors. theta energy: -119.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1535.633408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.633408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.633408 (E_RNA)
where:
Base-Base interactions energy: -1058.237
where: short stacking energy: -421.223
Base-Backbone interact. energy: 1.253
local terms energy: -478.649762
where:
bonds (distance) C4'-P energy: -103.973
bonds (distance) P-C4' energy: -100.306
flat angles C4'-P-C4' energy: -121.921
flat angles P-C4'-P energy: -82.276
tors. eta vs tors. theta energy: -70.174
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: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1321.333816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.333816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.333816 (E_RNA)
where:
Base-Base interactions energy: -827.082
where: short stacking energy: -377.834
Base-Backbone interact. energy: -3.685
local terms energy: -490.567621
where:
bonds (distance) C4'-P energy: -120.340
bonds (distance) P-C4' energy: -116.888
flat angles C4'-P-C4' energy: -120.845
flat angles P-C4'-P energy: -70.287
tors. eta vs tors. theta energy: -62.208
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: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -901.022280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.022280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.022280 (E_RNA)
where:
Base-Base interactions energy: -480.465
where: short stacking energy: -238.507
Base-Backbone interact. energy: 0.098
local terms energy: -420.655779
where:
bonds (distance) C4'-P energy: -119.643
bonds (distance) P-C4' energy: -122.958
flat angles C4'-P-C4' energy: -112.775
flat angles P-C4'-P energy: -56.757
tors. eta vs tors. theta energy: -8.524
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: 168
Temperature: 0.900000
Total energy: -2590.598839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.598839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.598839 (E_RNA)
where:
Base-Base interactions energy: -1828.533
where: short stacking energy: -771.660
Base-Backbone interact. energy: -2.960
local terms energy: -759.106235
where:
bonds (distance) C4'-P energy: -141.747
bonds (distance) P-C4' energy: -147.069
flat angles C4'-P-C4' energy: -158.321
flat angles P-C4'-P energy: -106.606
tors. eta vs tors. theta energy: -205.363
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: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2471.717915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.717915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.717915 (E_RNA)
where:
Base-Base interactions energy: -1763.592
where: short stacking energy: -717.925
Base-Backbone interact. energy: -1.269
local terms energy: -706.856660
where:
bonds (distance) C4'-P energy: -145.757
bonds (distance) P-C4' energy: -125.117
flat angles C4'-P-C4' energy: -151.620
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -192.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2334.874287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.874287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.874287 (E_RNA)
where:
Base-Base interactions energy: -1624.601
where: short stacking energy: -704.950
Base-Backbone interact. energy: 2.422
local terms energy: -712.694929
where:
bonds (distance) C4'-P energy: -140.022
bonds (distance) P-C4' energy: -118.920
flat angles C4'-P-C4' energy: -149.577
flat angles P-C4'-P energy: -96.445
tors. eta vs tors. theta energy: -207.730
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: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2270.014754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.014754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.014754 (E_RNA)
where:
Base-Base interactions energy: -1569.214
where: short stacking energy: -691.273
Base-Backbone interact. energy: -0.408
local terms energy: -700.392495
where:
bonds (distance) C4'-P energy: -132.747
bonds (distance) P-C4' energy: -129.166
flat angles C4'-P-C4' energy: -154.916
flat angles P-C4'-P energy: -89.759
tors. eta vs tors. theta energy: -193.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2118.281535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.281535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.281535 (E_RNA)
where:
Base-Base interactions energy: -1464.509
where: short stacking energy: -592.486
Base-Backbone interact. energy: 3.725
local terms energy: -657.497600
where:
bonds (distance) C4'-P energy: -148.713
bonds (distance) P-C4' energy: -127.854
flat angles C4'-P-C4' energy: -134.304
flat angles P-C4'-P energy: -95.098
tors. eta vs tors. theta energy: -151.528
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: 168
Temperature: 1.150000
Total energy: -1970.782027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.782027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.782027 (E_RNA)
where:
Base-Base interactions energy: -1351.577
where: short stacking energy: -608.586
Base-Backbone interact. energy: -2.335
local terms energy: -616.869715
where:
bonds (distance) C4'-P energy: -129.119
bonds (distance) P-C4' energy: -99.009
flat angles C4'-P-C4' energy: -135.896
flat angles P-C4'-P energy: -93.151
tors. eta vs tors. theta energy: -159.694
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: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1817.600818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.600818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.600818 (E_RNA)
where:
Base-Base interactions energy: -1254.549
where: short stacking energy: -533.144
Base-Backbone interact. energy: 0.317
local terms energy: -563.369051
where:
bonds (distance) C4'-P energy: -111.559
bonds (distance) P-C4' energy: -118.199
flat angles C4'-P-C4' energy: -123.882
flat angles P-C4'-P energy: -74.106
tors. eta vs tors. theta energy: -135.623
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: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1572.294227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.294227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.294227 (E_RNA)
where:
Base-Base interactions energy: -1049.786
where: short stacking energy: -440.601
Base-Backbone interact. energy: -1.139
local terms energy: -521.368664
where:
bonds (distance) C4'-P energy: -121.807
bonds (distance) P-C4' energy: -116.615
flat angles C4'-P-C4' energy: -108.884
flat angles P-C4'-P energy: -77.258
tors. eta vs tors. theta energy: -96.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1345.385970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.385970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.385970 (E_RNA)
where:
Base-Base interactions energy: -885.714
where: short stacking energy: -398.908
Base-Backbone interact. energy: -1.885
local terms energy: -457.786931
where:
bonds (distance) C4'-P energy: -110.760
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -120.170
flat angles P-C4'-P energy: -64.325
tors. eta vs tors. theta energy: -57.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -946.026080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.026080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.026080 (E_RNA)
where:
Base-Base interactions energy: -548.756
where: short stacking energy: -304.228
Base-Backbone interact. energy: -0.201
local terms energy: -397.069018
where:
bonds (distance) C4'-P energy: -105.512
bonds (distance) P-C4' energy: -104.771
flat angles C4'-P-C4' energy: -105.394
flat angles P-C4'-P energy: -53.724
tors. eta vs tors. theta energy: -27.669
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: 169
Temperature: 0.900000
Total energy: -2575.709611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.709611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.709611 (E_RNA)
where:
Base-Base interactions energy: -1819.492
where: short stacking energy: -767.629
Base-Backbone interact. energy: -2.655
local terms energy: -753.562997
where:
bonds (distance) C4'-P energy: -129.281
bonds (distance) P-C4' energy: -140.713
flat angles C4'-P-C4' energy: -163.007
flat angles P-C4'-P energy: -99.037
tors. eta vs tors. theta energy: -221.525
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: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2496.624654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.624654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.624654 (E_RNA)
where:
Base-Base interactions energy: -1732.814
where: short stacking energy: -710.288
Base-Backbone interact. energy: -3.759
local terms energy: -760.051542
where:
bonds (distance) C4'-P energy: -142.096
bonds (distance) P-C4' energy: -146.496
flat angles C4'-P-C4' energy: -159.721
flat angles P-C4'-P energy: -113.781
tors. eta vs tors. theta energy: -197.958
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: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2379.786634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.786634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.786634 (E_RNA)
where:
Base-Base interactions energy: -1653.034
where: short stacking energy: -734.432
Base-Backbone interact. energy: -2.820
local terms energy: -723.931863
where:
bonds (distance) C4'-P energy: -126.657
bonds (distance) P-C4' energy: -134.245
flat angles C4'-P-C4' energy: -163.358
flat angles P-C4'-P energy: -85.358
tors. eta vs tors. theta energy: -214.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2236.755455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.755455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.755455 (E_RNA)
where:
Base-Base interactions energy: -1530.885
where: short stacking energy: -683.609
Base-Backbone interact. energy: 4.789
local terms energy: -710.659452
where:
bonds (distance) C4'-P energy: -132.843
bonds (distance) P-C4' energy: -144.033
flat angles C4'-P-C4' energy: -149.572
flat angles P-C4'-P energy: -107.218
tors. eta vs tors. theta energy: -176.993
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: 169
Temperature: 1.100000
Total energy: -2072.357467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.357467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.357467 (E_RNA)
where:
Base-Base interactions energy: -1447.462
where: short stacking energy: -593.679
Base-Backbone interact. energy: 0.850
local terms energy: -625.744810
where:
bonds (distance) C4'-P energy: -118.488
bonds (distance) P-C4' energy: -116.939
flat angles C4'-P-C4' energy: -141.926
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -153.722
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: 169
Temperature: 1.150000
Total energy: -2018.264237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.264237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.264237 (E_RNA)
where:
Base-Base interactions energy: -1395.023
where: short stacking energy: -609.842
Base-Backbone interact. energy: 0.299
local terms energy: -623.540638
where:
bonds (distance) C4'-P energy: -104.422
bonds (distance) P-C4' energy: -113.265
flat angles C4'-P-C4' energy: -150.975
flat angles P-C4'-P energy: -94.366
tors. eta vs tors. theta energy: -160.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1823.726763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.726763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.726763 (E_RNA)
where:
Base-Base interactions energy: -1256.960
where: short stacking energy: -532.793
Base-Backbone interact. energy: -2.171
local terms energy: -564.596450
where:
bonds (distance) C4'-P energy: -125.024
bonds (distance) P-C4' energy: -113.643
flat angles C4'-P-C4' energy: -131.127
flat angles P-C4'-P energy: -69.257
tors. eta vs tors. theta energy: -125.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1575.331278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.331278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.331278 (E_RNA)
where:
Base-Base interactions energy: -1045.264
where: short stacking energy: -471.202
Base-Backbone interact. energy: -0.236
local terms energy: -529.831851
where:
bonds (distance) C4'-P energy: -119.974
bonds (distance) P-C4' energy: -125.209
flat angles C4'-P-C4' energy: -119.322
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -93.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1410.894242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.894242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.894242 (E_RNA)
where:
Base-Base interactions energy: -951.497
where: short stacking energy: -407.780
Base-Backbone interact. energy: -1.686
local terms energy: -457.710842
where:
bonds (distance) C4'-P energy: -85.213
bonds (distance) P-C4' energy: -120.695
flat angles C4'-P-C4' energy: -119.072
flat angles P-C4'-P energy: -70.337
tors. eta vs tors. theta energy: -62.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -939.331717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.331717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.331717 (E_RNA)
where:
Base-Base interactions energy: -552.719
where: short stacking energy: -297.048
Base-Backbone interact. energy: 5.190
local terms energy: -391.803439
where:
bonds (distance) C4'-P energy: -111.274
bonds (distance) P-C4' energy: -110.506
flat angles C4'-P-C4' energy: -103.248
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -20.545
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: 170
Temperature: 0.900000
Total energy: -2569.460924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.460924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.460924 (E_RNA)
where:
Base-Base interactions energy: -1805.755
where: short stacking energy: -765.899
Base-Backbone interact. energy: -4.487
local terms energy: -759.219575
where:
bonds (distance) C4'-P energy: -132.590
bonds (distance) P-C4' energy: -143.940
flat angles C4'-P-C4' energy: -168.314
flat angles P-C4'-P energy: -96.985
tors. eta vs tors. theta energy: -217.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2505.853708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.853708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.853708 (E_RNA)
where:
Base-Base interactions energy: -1766.551
where: short stacking energy: -742.526
Base-Backbone interact. energy: 0.896
local terms energy: -740.198324
where:
bonds (distance) C4'-P energy: -135.569
bonds (distance) P-C4' energy: -133.783
flat angles C4'-P-C4' energy: -156.151
flat angles P-C4'-P energy: -104.211
tors. eta vs tors. theta energy: -210.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2357.263463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.263463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.263463 (E_RNA)
where:
Base-Base interactions energy: -1642.849
where: short stacking energy: -715.094
Base-Backbone interact. energy: -1.594
local terms energy: -712.820483
where:
bonds (distance) C4'-P energy: -136.812
bonds (distance) P-C4' energy: -120.588
flat angles C4'-P-C4' energy: -144.481
flat angles P-C4'-P energy: -108.522
tors. eta vs tors. theta energy: -202.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2201.371248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.371248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.371248 (E_RNA)
where:
Base-Base interactions energy: -1524.456
where: short stacking energy: -654.275
Base-Backbone interact. energy: -0.416
local terms energy: -676.499723
where:
bonds (distance) C4'-P energy: -128.443
bonds (distance) P-C4' energy: -134.592
flat angles C4'-P-C4' energy: -147.330
flat angles P-C4'-P energy: -89.479
tors. eta vs tors. theta energy: -176.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2097.947392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.947392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.947392 (E_RNA)
where:
Base-Base interactions energy: -1453.002
where: short stacking energy: -598.207
Base-Backbone interact. energy: -4.420
local terms energy: -640.525722
where:
bonds (distance) C4'-P energy: -127.370
bonds (distance) P-C4' energy: -125.336
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -95.024
tors. eta vs tors. theta energy: -157.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1996.203734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.203734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.203734 (E_RNA)
where:
Base-Base interactions energy: -1361.149
where: short stacking energy: -634.407
Base-Backbone interact. energy: 0.100
local terms energy: -635.155016
where:
bonds (distance) C4'-P energy: -130.500
bonds (distance) P-C4' energy: -121.583
flat angles C4'-P-C4' energy: -131.227
flat angles P-C4'-P energy: -82.362
tors. eta vs tors. theta energy: -169.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1835.985819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.985819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.985819 (E_RNA)
where:
Base-Base interactions energy: -1258.274
where: short stacking energy: -543.080
Base-Backbone interact. energy: -1.121
local terms energy: -576.591371
where:
bonds (distance) C4'-P energy: -116.603
bonds (distance) P-C4' energy: -135.302
flat angles C4'-P-C4' energy: -118.838
flat angles P-C4'-P energy: -79.992
tors. eta vs tors. theta energy: -125.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1522.861545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.861545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.861545 (E_RNA)
where:
Base-Base interactions energy: -1040.567
where: short stacking energy: -439.909
Base-Backbone interact. energy: -1.356
local terms energy: -480.938276
where:
bonds (distance) C4'-P energy: -94.023
bonds (distance) P-C4' energy: -127.864
flat angles C4'-P-C4' energy: -105.128
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -86.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1411.046535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.046535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.046535 (E_RNA)
where:
Base-Base interactions energy: -916.250
where: short stacking energy: -405.983
Base-Backbone interact. energy: -1.696
local terms energy: -493.100898
where:
bonds (distance) C4'-P energy: -112.096
bonds (distance) P-C4' energy: -113.789
flat angles C4'-P-C4' energy: -114.717
flat angles P-C4'-P energy: -74.867
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: 10, replica: 8
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -971.050532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.050532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.050532 (E_RNA)
where:
Base-Base interactions energy: -547.190
where: short stacking energy: -266.604
Base-Backbone interact. energy: -0.732
local terms energy: -423.128308
where:
bonds (distance) C4'-P energy: -114.518
bonds (distance) P-C4' energy: -117.423
flat angles C4'-P-C4' energy: -81.804
flat angles P-C4'-P energy: -79.516
tors. eta vs tors. theta energy: -29.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2562.723037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.723037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.723037 (E_RNA)
where:
Base-Base interactions energy: -1813.318
where: short stacking energy: -763.522
Base-Backbone interact. energy: -4.683
local terms energy: -744.721666
where:
bonds (distance) C4'-P energy: -141.500
bonds (distance) P-C4' energy: -124.623
flat angles C4'-P-C4' energy: -153.204
flat angles P-C4'-P energy: -104.612
tors. eta vs tors. theta energy: -220.783
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2498.780364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.780364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.780364 (E_RNA)
where:
Base-Base interactions energy: -1748.719
where: short stacking energy: -724.121
Base-Backbone interact. energy: -2.954
local terms energy: -747.107062
where:
bonds (distance) C4'-P energy: -136.370
bonds (distance) P-C4' energy: -128.759
flat angles C4'-P-C4' energy: -168.494
flat angles P-C4'-P energy: -111.708
tors. eta vs tors. theta energy: -201.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2348.613867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.613867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.613867 (E_RNA)
where:
Base-Base interactions energy: -1617.186
where: short stacking energy: -732.301
Base-Backbone interact. energy: -0.653
local terms energy: -730.775215
where:
bonds (distance) C4'-P energy: -132.516
bonds (distance) P-C4' energy: -126.064
flat angles C4'-P-C4' energy: -162.500
flat angles P-C4'-P energy: -100.750
tors. eta vs tors. theta energy: -208.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2251.014378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.014378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.014378 (E_RNA)
where:
Base-Base interactions energy: -1609.478
where: short stacking energy: -679.380
Base-Backbone interact. energy: -3.280
local terms energy: -638.256684
where:
bonds (distance) C4'-P energy: -115.770
bonds (distance) P-C4' energy: -106.138
flat angles C4'-P-C4' energy: -143.884
flat angles P-C4'-P energy: -85.173
tors. eta vs tors. theta energy: -187.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2162.145763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.145763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.145763 (E_RNA)
where:
Base-Base interactions energy: -1509.886
where: short stacking energy: -657.080
Base-Backbone interact. energy: -1.187
local terms energy: -651.072471
where:
bonds (distance) C4'-P energy: -114.146
bonds (distance) P-C4' energy: -114.682
flat angles C4'-P-C4' energy: -146.941
flat angles P-C4'-P energy: -98.453
tors. eta vs tors. theta energy: -176.851
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: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -2013.406009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.406009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.406009 (E_RNA)
where:
Base-Base interactions energy: -1378.752
where: short stacking energy: -630.091
Base-Backbone interact. energy: 3.715
local terms energy: -638.369218
where:
bonds (distance) C4'-P energy: -113.643
bonds (distance) P-C4' energy: -137.135
flat angles C4'-P-C4' energy: -134.141
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -164.435
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: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1791.354329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.354329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.354329 (E_RNA)
where:
Base-Base interactions energy: -1226.399
where: short stacking energy: -528.492
Base-Backbone interact. energy: 0.019
local terms energy: -564.974371
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -124.946
flat angles C4'-P-C4' energy: -136.637
flat angles P-C4'-P energy: -77.352
tors. eta vs tors. theta energy: -135.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1511.030257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.030257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.030257 (E_RNA)
where:
Base-Base interactions energy: -1046.581
where: short stacking energy: -427.427
Base-Backbone interact. energy: 3.161
local terms energy: -467.610295
where:
bonds (distance) C4'-P energy: -89.644
bonds (distance) P-C4' energy: -107.946
flat angles C4'-P-C4' energy: -120.269
flat angles P-C4'-P energy: -70.429
tors. eta vs tors. theta energy: -79.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1306.843533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.843533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.843533 (E_RNA)
where:
Base-Base interactions energy: -851.409
where: short stacking energy: -381.576
Base-Backbone interact. energy: -0.708
local terms energy: -454.726666
where:
bonds (distance) C4'-P energy: -98.938
bonds (distance) P-C4' energy: -118.100
flat angles C4'-P-C4' energy: -108.209
flat angles P-C4'-P energy: -68.855
tors. eta vs tors. theta energy: -60.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -933.895517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.895517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.895517 (E_RNA)
where:
Base-Base interactions energy: -507.452
where: short stacking energy: -272.820
Base-Backbone interact. energy: 5.522
local terms energy: -431.965820
where:
bonds (distance) C4'-P energy: -106.172
bonds (distance) P-C4' energy: -123.514
flat angles C4'-P-C4' energy: -94.943
flat angles P-C4'-P energy: -80.067
tors. eta vs tors. theta energy: -27.270
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: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2537.188094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.188094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.188094 (E_RNA)
where:
Base-Base interactions energy: -1805.724
where: short stacking energy: -772.106
Base-Backbone interact. energy: -3.927
local terms energy: -727.537608
where:
bonds (distance) C4'-P energy: -145.000
bonds (distance) P-C4' energy: -129.186
flat angles C4'-P-C4' energy: -155.409
flat angles P-C4'-P energy: -94.770
tors. eta vs tors. theta energy: -203.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2534.429173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.429173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.429173 (E_RNA)
where:
Base-Base interactions energy: -1795.648
where: short stacking energy: -759.148
Base-Backbone interact. energy: -4.089
local terms energy: -734.692027
where:
bonds (distance) C4'-P energy: -139.222
bonds (distance) P-C4' energy: -139.076
flat angles C4'-P-C4' energy: -144.242
flat angles P-C4'-P energy: -99.649
tors. eta vs tors. theta energy: -212.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2358.934025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.934025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.934025 (E_RNA)
where:
Base-Base interactions energy: -1623.420
where: short stacking energy: -722.690
Base-Backbone interact. energy: -2.982
local terms energy: -732.532440
where:
bonds (distance) C4'-P energy: -139.700
bonds (distance) P-C4' energy: -131.336
flat angles C4'-P-C4' energy: -148.202
flat angles P-C4'-P energy: -104.748
tors. eta vs tors. theta energy: -208.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2209.131605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.131605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.131605 (E_RNA)
where:
Base-Base interactions energy: -1524.641
where: short stacking energy: -653.591
Base-Backbone interact. energy: -2.364
local terms energy: -682.126389
where:
bonds (distance) C4'-P energy: -127.512
bonds (distance) P-C4' energy: -137.885
flat angles C4'-P-C4' energy: -142.864
flat angles P-C4'-P energy: -94.855
tors. eta vs tors. theta energy: -179.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2170.893730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.893730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.893730 (E_RNA)
where:
Base-Base interactions energy: -1506.844
where: short stacking energy: -678.119
Base-Backbone interact. energy: -4.282
local terms energy: -659.767349
where:
bonds (distance) C4'-P energy: -120.968
bonds (distance) P-C4' energy: -126.523
flat angles C4'-P-C4' energy: -134.518
flat angles P-C4'-P energy: -84.612
tors. eta vs tors. theta energy: -193.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1958.709450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.709450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.709450 (E_RNA)
where:
Base-Base interactions energy: -1322.945
where: short stacking energy: -609.013
Base-Backbone interact. energy: 1.458
local terms energy: -637.221546
where:
bonds (distance) C4'-P energy: -109.098
bonds (distance) P-C4' energy: -126.117
flat angles C4'-P-C4' energy: -144.178
flat angles P-C4'-P energy: -104.947
tors. eta vs tors. theta energy: -152.881
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: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1828.835850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.835850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.835850 (E_RNA)
where:
Base-Base interactions energy: -1256.247
where: short stacking energy: -538.289
Base-Backbone interact. energy: -1.717
local terms energy: -570.871273
where:
bonds (distance) C4'-P energy: -122.028
bonds (distance) P-C4' energy: -104.150
flat angles C4'-P-C4' energy: -132.567
flat angles P-C4'-P energy: -83.543
tors. eta vs tors. theta energy: -128.583
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1534.553468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.553468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.553468 (E_RNA)
where:
Base-Base interactions energy: -1010.580
where: short stacking energy: -465.648
Base-Backbone interact. energy: -2.725
local terms energy: -521.248035
where:
bonds (distance) C4'-P energy: -114.288
bonds (distance) P-C4' energy: -127.269
flat angles C4'-P-C4' energy: -118.322
flat angles P-C4'-P energy: -85.236
tors. eta vs tors. theta energy: -76.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1346.599430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.599430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.599430 (E_RNA)
where:
Base-Base interactions energy: -874.619
where: short stacking energy: -404.764
Base-Backbone interact. energy: 0.024
local terms energy: -472.004703
where:
bonds (distance) C4'-P energy: -109.556
bonds (distance) P-C4' energy: -103.902
flat angles C4'-P-C4' energy: -115.235
flat angles P-C4'-P energy: -64.495
tors. eta vs tors. theta energy: -78.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -970.392727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.392727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.392727 (E_RNA)
where:
Base-Base interactions energy: -568.142
where: short stacking energy: -284.363
Base-Backbone interact. energy: -1.663
local terms energy: -400.587624
where:
bonds (distance) C4'-P energy: -114.299
bonds (distance) P-C4' energy: -111.572
flat angles C4'-P-C4' energy: -92.343
flat angles P-C4'-P energy: -63.667
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2532.939734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.939734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.939734 (E_RNA)
where:
Base-Base interactions energy: -1806.648
where: short stacking energy: -753.934
Base-Backbone interact. energy: 0.315
local terms energy: -726.606820
where:
bonds (distance) C4'-P energy: -122.131
bonds (distance) P-C4' energy: -143.110
flat angles C4'-P-C4' energy: -154.743
flat angles P-C4'-P energy: -98.229
tors. eta vs tors. theta energy: -208.394
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: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2491.603402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2491.603402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2491.603402 (E_RNA)
where:
Base-Base interactions energy: -1773.272
where: short stacking energy: -740.403
Base-Backbone interact. energy: -4.291
local terms energy: -714.040143
where:
bonds (distance) C4'-P energy: -126.291
bonds (distance) P-C4' energy: -118.257
flat angles C4'-P-C4' energy: -157.792
flat angles P-C4'-P energy: -99.695
tors. eta vs tors. theta energy: -212.006
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: 5
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2342.538271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.538271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.538271 (E_RNA)
where:
Base-Base interactions energy: -1645.106
where: short stacking energy: -718.479
Base-Backbone interact. energy: -2.521
local terms energy: -694.911065
where:
bonds (distance) C4'-P energy: -128.276
bonds (distance) P-C4' energy: -113.461
flat angles C4'-P-C4' energy: -152.863
flat angles P-C4'-P energy: -91.696
tors. eta vs tors. theta energy: -208.615
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: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2237.366639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.366639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.366639 (E_RNA)
where:
Base-Base interactions energy: -1569.254
where: short stacking energy: -661.954
Base-Backbone interact. energy: -0.166
local terms energy: -667.946669
where:
bonds (distance) C4'-P energy: -132.509
bonds (distance) P-C4' energy: -131.230
flat angles C4'-P-C4' energy: -135.947
flat angles P-C4'-P energy: -79.053
tors. eta vs tors. theta energy: -189.207
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: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2140.708590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.708590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.708590 (E_RNA)
where:
Base-Base interactions energy: -1488.010
where: short stacking energy: -646.670
Base-Backbone interact. energy: -1.610
local terms energy: -651.088782
where:
bonds (distance) C4'-P energy: -108.025
bonds (distance) P-C4' energy: -125.494
flat angles C4'-P-C4' energy: -140.351
flat angles P-C4'-P energy: -92.338
tors. eta vs tors. theta energy: -184.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -2004.313210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.313210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.313210 (E_RNA)
where:
Base-Base interactions energy: -1384.826
where: short stacking energy: -616.859
Base-Backbone interact. energy: 1.914
local terms energy: -621.400748
where:
bonds (distance) C4'-P energy: -115.888
bonds (distance) P-C4' energy: -128.632
flat angles C4'-P-C4' energy: -137.777
flat angles P-C4'-P energy: -76.487
tors. eta vs tors. theta energy: -162.617
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: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1865.453793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.453793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.453793 (E_RNA)
where:
Base-Base interactions energy: -1288.920
where: short stacking energy: -553.765
Base-Backbone interact. energy: 0.179
local terms energy: -576.712831
where:
bonds (distance) C4'-P energy: -109.467
bonds (distance) P-C4' energy: -113.465
flat angles C4'-P-C4' energy: -131.528
flat angles P-C4'-P energy: -82.221
tors. eta vs tors. theta energy: -140.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1568.701540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.701540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.701540 (E_RNA)
where:
Base-Base interactions energy: -1053.056
where: short stacking energy: -440.073
Base-Backbone interact. energy: -0.615
local terms energy: -515.031214
where:
bonds (distance) C4'-P energy: -105.146
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -134.397
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -98.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1357.809016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.809016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.809016 (E_RNA)
where:
Base-Base interactions energy: -855.908
where: short stacking energy: -403.813
Base-Backbone interact. energy: 2.405
local terms energy: -504.306659
where:
bonds (distance) C4'-P energy: -86.746
bonds (distance) P-C4' energy: -115.889
flat angles C4'-P-C4' energy: -117.120
flat angles P-C4'-P energy: -86.431
tors. eta vs tors. theta energy: -98.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -991.414109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.414109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.414109 (E_RNA)
where:
Base-Base interactions energy: -559.373
where: short stacking energy: -294.356
Base-Backbone interact. energy: -2.192
local terms energy: -429.848844
where:
bonds (distance) C4'-P energy: -104.859
bonds (distance) P-C4' energy: -107.898
flat angles C4'-P-C4' energy: -102.455
flat angles P-C4'-P energy: -73.726
tors. eta vs tors. theta energy: -40.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2514.740228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.740228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.740228 (E_RNA)
where:
Base-Base interactions energy: -1779.727
where: short stacking energy: -738.487
Base-Backbone interact. energy: 0.808
local terms energy: -735.820937
where:
bonds (distance) C4'-P energy: -123.501
bonds (distance) P-C4' energy: -147.404
flat angles C4'-P-C4' energy: -158.693
flat angles P-C4'-P energy: -102.199
tors. eta vs tors. theta energy: -204.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2494.186819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.186819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.186819 (E_RNA)
where:
Base-Base interactions energy: -1771.183
where: short stacking energy: -728.446
Base-Backbone interact. energy: -2.268
local terms energy: -720.735129
where:
bonds (distance) C4'-P energy: -134.315
bonds (distance) P-C4' energy: -122.775
flat angles C4'-P-C4' energy: -153.510
flat angles P-C4'-P energy: -103.840
tors. eta vs tors. theta energy: -206.295
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: 3, replica: 5
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2350.155343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.155343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.155343 (E_RNA)
where:
Base-Base interactions energy: -1638.040
where: short stacking energy: -716.846
Base-Backbone interact. energy: -1.392
local terms energy: -710.723649
where:
bonds (distance) C4'-P energy: -135.301
bonds (distance) P-C4' energy: -135.859
flat angles C4'-P-C4' energy: -142.198
flat angles P-C4'-P energy: -90.801
tors. eta vs tors. theta energy: -206.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2215.478441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.478441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.478441 (E_RNA)
where:
Base-Base interactions energy: -1546.354
where: short stacking energy: -679.826
Base-Backbone interact. energy: 0.455
local terms energy: -669.579084
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -141.755
flat angles C4'-P-C4' energy: -155.777
flat angles P-C4'-P energy: -87.735
tors. eta vs tors. theta energy: -174.135
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: 5, replica: 4
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2157.941857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.941857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.941857 (E_RNA)
where:
Base-Base interactions energy: -1500.881
where: short stacking energy: -657.985
Base-Backbone interact. energy: -0.580
local terms energy: -656.481702
where:
bonds (distance) C4'-P energy: -105.596
bonds (distance) P-C4' energy: -134.285
flat angles C4'-P-C4' energy: -140.267
flat angles P-C4'-P energy: -90.385
tors. eta vs tors. theta energy: -185.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -2062.605804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.605804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.605804 (E_RNA)
where:
Base-Base interactions energy: -1396.081
where: short stacking energy: -663.240
Base-Backbone interact. energy: -0.159
local terms energy: -666.366102
where:
bonds (distance) C4'-P energy: -113.249
bonds (distance) P-C4' energy: -124.793
flat angles C4'-P-C4' energy: -144.615
flat angles P-C4'-P energy: -91.228
tors. eta vs tors. theta energy: -192.481
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: 174
Temperature: 1.200000
Total energy: -1859.596431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.596431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.596431 (E_RNA)
where:
Base-Base interactions energy: -1273.462
where: short stacking energy: -564.482
Base-Backbone interact. energy: 3.214
local terms energy: -589.348438
where:
bonds (distance) C4'-P energy: -130.199
bonds (distance) P-C4' energy: -117.454
flat angles C4'-P-C4' energy: -124.275
flat angles P-C4'-P energy: -85.376
tors. eta vs tors. theta energy: -132.044
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: 8, replica: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1492.938814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.938814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.938814 (E_RNA)
where:
Base-Base interactions energy: -989.574
where: short stacking energy: -422.489
Base-Backbone interact. energy: -3.201
local terms energy: -500.163349
where:
bonds (distance) C4'-P energy: -132.949
bonds (distance) P-C4' energy: -95.828
flat angles C4'-P-C4' energy: -119.460
flat angles P-C4'-P energy: -75.472
tors. eta vs tors. theta energy: -76.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1331.146294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.146294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.146294 (E_RNA)
where:
Base-Base interactions energy: -860.782
where: short stacking energy: -375.653
Base-Backbone interact. energy: -3.432
local terms energy: -466.932574
where:
bonds (distance) C4'-P energy: -108.797
bonds (distance) P-C4' energy: -111.810
flat angles C4'-P-C4' energy: -94.815
flat angles P-C4'-P energy: -91.055
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: 10, replica: 8
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -984.753593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.753593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.753593 (E_RNA)
where:
Base-Base interactions energy: -594.220
where: short stacking energy: -267.523
Base-Backbone interact. energy: -0.176
local terms energy: -390.357695
where:
bonds (distance) C4'-P energy: -109.854
bonds (distance) P-C4' energy: -115.276
flat angles C4'-P-C4' energy: -106.922
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -13.454
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: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2532.489544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.489544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.489544 (E_RNA)
where:
Base-Base interactions energy: -1766.455
where: short stacking energy: -748.658
Base-Backbone interact. energy: -3.873
local terms energy: -762.161361
where:
bonds (distance) C4'-P energy: -142.458
bonds (distance) P-C4' energy: -132.254
flat angles C4'-P-C4' energy: -169.175
flat angles P-C4'-P energy: -105.692
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: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2502.375371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.375371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.375371 (E_RNA)
where:
Base-Base interactions energy: -1750.875
where: short stacking energy: -720.216
Base-Backbone interact. energy: -4.316
local terms energy: -747.184382
where:
bonds (distance) C4'-P energy: -141.435
bonds (distance) P-C4' energy: -148.289
flat angles C4'-P-C4' energy: -149.064
flat angles P-C4'-P energy: -100.223
tors. eta vs tors. theta energy: -208.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2342.083506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.083506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.083506 (E_RNA)
where:
Base-Base interactions energy: -1603.369
where: short stacking energy: -718.684
Base-Backbone interact. energy: -2.268
local terms energy: -736.447225
where:
bonds (distance) C4'-P energy: -137.900
bonds (distance) P-C4' energy: -144.564
flat angles C4'-P-C4' energy: -151.447
flat angles P-C4'-P energy: -97.471
tors. eta vs tors. theta energy: -205.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2249.806060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.806060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.806060 (E_RNA)
where:
Base-Base interactions energy: -1566.784
where: short stacking energy: -678.173
Base-Backbone interact. energy: -2.669
local terms energy: -680.352836
where:
bonds (distance) C4'-P energy: -124.010
bonds (distance) P-C4' energy: -127.966
flat angles C4'-P-C4' energy: -146.887
flat angles P-C4'-P energy: -98.353
tors. eta vs tors. theta energy: -183.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2199.550566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.550566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.550566 (E_RNA)
where:
Base-Base interactions energy: -1530.017
where: short stacking energy: -682.269
Base-Backbone interact. energy: -1.878
local terms energy: -667.655573
where:
bonds (distance) C4'-P energy: -118.327
bonds (distance) P-C4' energy: -126.616
flat angles C4'-P-C4' energy: -137.089
flat angles P-C4'-P energy: -97.379
tors. eta vs tors. theta energy: -188.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -2105.096619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.096619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.096619 (E_RNA)
where:
Base-Base interactions energy: -1458.395
where: short stacking energy: -625.745
Base-Backbone interact. energy: -0.066
local terms energy: -646.636213
where:
bonds (distance) C4'-P energy: -120.893
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -128.315
flat angles P-C4'-P energy: -94.452
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: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1847.456207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.456207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.456207 (E_RNA)
where:
Base-Base interactions energy: -1255.583
where: short stacking energy: -556.971
Base-Backbone interact. energy: -1.760
local terms energy: -590.113228
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -112.820
flat angles C4'-P-C4' energy: -133.813
flat angles P-C4'-P energy: -87.228
tors. eta vs tors. theta energy: -145.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1453.973989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.973989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.973989 (E_RNA)
where:
Base-Base interactions energy: -945.971
where: short stacking energy: -412.859
Base-Backbone interact. energy: -1.089
local terms energy: -506.914257
where:
bonds (distance) C4'-P energy: -105.998
bonds (distance) P-C4' energy: -121.728
flat angles C4'-P-C4' energy: -112.626
flat angles P-C4'-P energy: -93.436
tors. eta vs tors. theta energy: -73.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1302.625425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.625425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.625425 (E_RNA)
where:
Base-Base interactions energy: -851.849
where: short stacking energy: -371.362
Base-Backbone interact. energy: -2.392
local terms energy: -448.384349
where:
bonds (distance) C4'-P energy: -83.917
bonds (distance) P-C4' energy: -120.900
flat angles C4'-P-C4' energy: -111.774
flat angles P-C4'-P energy: -63.497
tors. eta vs tors. theta energy: -68.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -977.857835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.857835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.857835 (E_RNA)
where:
Base-Base interactions energy: -581.425
where: short stacking energy: -296.457
Base-Backbone interact. energy: -0.261
local terms energy: -396.172222
where:
bonds (distance) C4'-P energy: -98.977
bonds (distance) P-C4' energy: -123.340
flat angles C4'-P-C4' energy: -106.803
flat angles P-C4'-P energy: -46.731
tors. eta vs tors. theta energy: -20.321
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2532.429486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.429486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.429486 (E_RNA)
where:
Base-Base interactions energy: -1789.795
where: short stacking energy: -766.295
Base-Backbone interact. energy: -2.970
local terms energy: -739.664384
where:
bonds (distance) C4'-P energy: -139.394
bonds (distance) P-C4' energy: -142.212
flat angles C4'-P-C4' energy: -150.216
flat angles P-C4'-P energy: -104.983
tors. eta vs tors. theta energy: -202.859
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: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2490.699553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.699553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.699553 (E_RNA)
where:
Base-Base interactions energy: -1766.860
where: short stacking energy: -748.359
Base-Backbone interact. energy: -5.552
local terms energy: -718.287555
where:
bonds (distance) C4'-P energy: -134.855
bonds (distance) P-C4' energy: -135.785
flat angles C4'-P-C4' energy: -142.476
flat angles P-C4'-P energy: -104.553
tors. eta vs tors. theta energy: -200.618
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: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2327.166752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.166752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.166752 (E_RNA)
where:
Base-Base interactions energy: -1611.006
where: short stacking energy: -697.051
Base-Backbone interact. energy: -3.293
local terms energy: -712.868012
where:
bonds (distance) C4'-P energy: -117.242
bonds (distance) P-C4' energy: -130.802
flat angles C4'-P-C4' energy: -165.659
flat angles P-C4'-P energy: -85.068
tors. eta vs tors. theta energy: -214.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2262.308103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.308103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.308103 (E_RNA)
where:
Base-Base interactions energy: -1575.670
where: short stacking energy: -680.963
Base-Backbone interact. energy: -3.476
local terms energy: -683.161468
where:
bonds (distance) C4'-P energy: -120.302
bonds (distance) P-C4' energy: -127.103
flat angles C4'-P-C4' energy: -155.753
flat angles P-C4'-P energy: -100.147
tors. eta vs tors. theta energy: -179.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2136.185262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.185262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.185262 (E_RNA)
where:
Base-Base interactions energy: -1476.832
where: short stacking energy: -642.810
Base-Backbone interact. energy: -2.929
local terms energy: -656.424533
where:
bonds (distance) C4'-P energy: -119.768
bonds (distance) P-C4' energy: -129.390
flat angles C4'-P-C4' energy: -144.086
flat angles P-C4'-P energy: -90.208
tors. eta vs tors. theta energy: -172.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -2034.144126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.144126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.144126 (E_RNA)
where:
Base-Base interactions energy: -1401.507
where: short stacking energy: -612.804
Base-Backbone interact. energy: 0.612
local terms energy: -633.249566
where:
bonds (distance) C4'-P energy: -102.869
bonds (distance) P-C4' energy: -126.185
flat angles C4'-P-C4' energy: -135.068
flat angles P-C4'-P energy: -97.129
tors. eta vs tors. theta energy: -171.999
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: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1906.920775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.920775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.920775 (E_RNA)
where:
Base-Base interactions energy: -1306.024
where: short stacking energy: -556.420
Base-Backbone interact. energy: 3.983
local terms energy: -604.879464
where:
bonds (distance) C4'-P energy: -118.175
bonds (distance) P-C4' energy: -127.787
flat angles C4'-P-C4' energy: -121.524
flat angles P-C4'-P energy: -90.560
tors. eta vs tors. theta energy: -146.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1411.370801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.370801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.370801 (E_RNA)
where:
Base-Base interactions energy: -938.667
where: short stacking energy: -409.636
Base-Backbone interact. energy: -0.290
local terms energy: -472.413694
where:
bonds (distance) C4'-P energy: -124.402
bonds (distance) P-C4' energy: -100.278
flat angles C4'-P-C4' energy: -122.079
flat angles P-C4'-P energy: -61.658
tors. eta vs tors. theta energy: -63.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1278.122027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.122027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.122027 (E_RNA)
where:
Base-Base interactions energy: -822.990
where: short stacking energy: -374.156
Base-Backbone interact. energy: -4.711
local terms energy: -450.421468
where:
bonds (distance) C4'-P energy: -105.408
bonds (distance) P-C4' energy: -96.137
flat angles C4'-P-C4' energy: -95.626
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -70.885
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: 8
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -996.573245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.573245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.573245 (E_RNA)
where:
Base-Base interactions energy: -571.927
where: short stacking energy: -299.179
Base-Backbone interact. energy: 1.330
local terms energy: -425.976764
where:
bonds (distance) C4'-P energy: -108.622
bonds (distance) P-C4' energy: -110.247
flat angles C4'-P-C4' energy: -109.472
flat angles P-C4'-P energy: -69.334
tors. eta vs tors. theta energy: -28.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2537.711897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.711897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.711897 (E_RNA)
where:
Base-Base interactions energy: -1763.524
where: short stacking energy: -764.368
Base-Backbone interact. energy: -2.091
local terms energy: -772.096703
where:
bonds (distance) C4'-P energy: -138.249
bonds (distance) P-C4' energy: -136.915
flat angles C4'-P-C4' energy: -170.053
flat angles P-C4'-P energy: -118.077
tors. eta vs tors. theta energy: -208.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2476.680362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.680362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.680362 (E_RNA)
where:
Base-Base interactions energy: -1747.651
where: short stacking energy: -731.151
Base-Backbone interact. energy: -3.085
local terms energy: -725.944105
where:
bonds (distance) C4'-P energy: -135.750
bonds (distance) P-C4' energy: -142.393
flat angles C4'-P-C4' energy: -150.707
flat angles P-C4'-P energy: -94.814
tors. eta vs tors. theta energy: -202.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2352.323998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.323998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.323998 (E_RNA)
where:
Base-Base interactions energy: -1654.592
where: short stacking energy: -726.941
Base-Backbone interact. energy: 2.815
local terms energy: -700.547038
where:
bonds (distance) C4'-P energy: -115.888
bonds (distance) P-C4' energy: -137.671
flat angles C4'-P-C4' energy: -150.791
flat angles P-C4'-P energy: -87.229
tors. eta vs tors. theta energy: -208.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2302.207672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.207672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.207672 (E_RNA)
where:
Base-Base interactions energy: -1603.211
where: short stacking energy: -690.226
Base-Backbone interact. energy: -2.096
local terms energy: -696.900592
where:
bonds (distance) C4'-P energy: -130.237
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -145.791
flat angles P-C4'-P energy: -98.193
tors. eta vs tors. theta energy: -192.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2165.208739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.208739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.208739 (E_RNA)
where:
Base-Base interactions energy: -1486.305
where: short stacking energy: -664.168
Base-Backbone interact. energy: 1.289
local terms energy: -680.192690
where:
bonds (distance) C4'-P energy: -126.080
bonds (distance) P-C4' energy: -123.157
flat angles C4'-P-C4' energy: -163.894
flat angles P-C4'-P energy: -85.999
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: 6, replica: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -2012.924509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.924509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.924509 (E_RNA)
where:
Base-Base interactions energy: -1371.487
where: short stacking energy: -606.443
Base-Backbone interact. energy: -2.421
local terms energy: -639.016515
where:
bonds (distance) C4'-P energy: -124.278
bonds (distance) P-C4' energy: -116.810
flat angles C4'-P-C4' energy: -127.776
flat angles P-C4'-P energy: -86.807
tors. eta vs tors. theta energy: -183.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1912.211064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.211064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.211064 (E_RNA)
where:
Base-Base interactions energy: -1327.191
where: short stacking energy: -573.975
Base-Backbone interact. energy: -0.333
local terms energy: -584.687644
where:
bonds (distance) C4'-P energy: -101.139
bonds (distance) P-C4' energy: -112.314
flat angles C4'-P-C4' energy: -144.782
flat angles P-C4'-P energy: -77.350
tors. eta vs tors. theta energy: -149.103
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: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1409.494352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.494352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.494352 (E_RNA)
where:
Base-Base interactions energy: -926.259
where: short stacking energy: -422.260
Base-Backbone interact. energy: -1.729
local terms energy: -481.506464
where:
bonds (distance) C4'-P energy: -113.081
bonds (distance) P-C4' energy: -108.220
flat angles C4'-P-C4' energy: -108.031
flat angles P-C4'-P energy: -63.705
tors. eta vs tors. theta energy: -88.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1351.752285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.752285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.752285 (E_RNA)
where:
Base-Base interactions energy: -922.701
where: short stacking energy: -390.782
Base-Backbone interact. energy: -2.385
local terms energy: -426.667078
where:
bonds (distance) C4'-P energy: -83.628
bonds (distance) P-C4' energy: -116.346
flat angles C4'-P-C4' energy: -99.877
flat angles P-C4'-P energy: -57.270
tors. eta vs tors. theta energy: -69.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -996.687701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.687701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.687701 (E_RNA)
where:
Base-Base interactions energy: -589.169
where: short stacking energy: -291.849
Base-Backbone interact. energy: -0.773
local terms energy: -406.744972
where:
bonds (distance) C4'-P energy: -100.153
bonds (distance) P-C4' energy: -116.810
flat angles C4'-P-C4' energy: -106.541
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -28.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2566.842550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.842550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.842550 (E_RNA)
where:
Base-Base interactions energy: -1802.509
where: short stacking energy: -740.477
Base-Backbone interact. energy: -2.232
local terms energy: -762.101363
where:
bonds (distance) C4'-P energy: -145.759
bonds (distance) P-C4' energy: -146.472
flat angles C4'-P-C4' energy: -155.739
flat angles P-C4'-P energy: -107.751
tors. eta vs tors. theta energy: -206.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -2483.838852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.838852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.838852 (E_RNA)
where:
Base-Base interactions energy: -1760.379
where: short stacking energy: -732.425
Base-Backbone interact. energy: -1.949
local terms energy: -721.511117
where:
bonds (distance) C4'-P energy: -129.620
bonds (distance) P-C4' energy: -135.488
flat angles C4'-P-C4' energy: -156.021
flat angles P-C4'-P energy: -107.445
tors. eta vs tors. theta energy: -192.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2330.782393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.782393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.782393 (E_RNA)
where:
Base-Base interactions energy: -1647.737
where: short stacking energy: -705.542
Base-Backbone interact. energy: -2.021
local terms energy: -681.023559
where:
bonds (distance) C4'-P energy: -123.606
bonds (distance) P-C4' energy: -132.021
flat angles C4'-P-C4' energy: -147.161
flat angles P-C4'-P energy: -90.073
tors. eta vs tors. theta energy: -188.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2276.487674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.487674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.487674 (E_RNA)
where:
Base-Base interactions energy: -1576.256
where: short stacking energy: -677.663
Base-Backbone interact. energy: -2.411
local terms energy: -697.820603
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -125.995
flat angles C4'-P-C4' energy: -154.799
flat angles P-C4'-P energy: -106.997
tors. eta vs tors. theta energy: -186.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2168.311705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.311705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.311705 (E_RNA)
where:
Base-Base interactions energy: -1482.459
where: short stacking energy: -651.858
Base-Backbone interact. energy: -3.463
local terms energy: -682.389709
where:
bonds (distance) C4'-P energy: -124.762
bonds (distance) P-C4' energy: -128.997
flat angles C4'-P-C4' energy: -153.089
flat angles P-C4'-P energy: -90.525
tors. eta vs tors. theta energy: -185.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -2009.532888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.532888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.532888 (E_RNA)
where:
Base-Base interactions energy: -1373.213
where: short stacking energy: -603.441
Base-Backbone interact. energy: 0.555
local terms energy: -636.875169
where:
bonds (distance) C4'-P energy: -125.513
bonds (distance) P-C4' energy: -127.750
flat angles C4'-P-C4' energy: -124.594
flat angles P-C4'-P energy: -93.979
tors. eta vs tors. theta energy: -165.040
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: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1875.075375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.075375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.075375 (E_RNA)
where:
Base-Base interactions energy: -1278.125
where: short stacking energy: -563.001
Base-Backbone interact. energy: -2.862
local terms energy: -594.087968
where:
bonds (distance) C4'-P energy: -127.896
bonds (distance) P-C4' energy: -118.188
flat angles C4'-P-C4' energy: -138.180
flat angles P-C4'-P energy: -70.011
tors. eta vs tors. theta energy: -139.813
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1450.398514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.398514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.398514 (E_RNA)
where:
Base-Base interactions energy: -952.504
where: short stacking energy: -450.635
Base-Backbone interact. energy: -3.078
local terms energy: -494.816422
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -114.553
flat angles C4'-P-C4' energy: -116.678
flat angles P-C4'-P energy: -70.435
tors. eta vs tors. theta energy: -80.479
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: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1368.038824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.038824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.038824 (E_RNA)
where:
Base-Base interactions energy: -895.637
where: short stacking energy: -393.612
Base-Backbone interact. energy: -1.368
local terms energy: -471.033396
where:
bonds (distance) C4'-P energy: -104.830
bonds (distance) P-C4' energy: -114.602
flat angles C4'-P-C4' energy: -127.082
flat angles P-C4'-P energy: -64.314
tors. eta vs tors. theta energy: -60.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -991.052987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.052987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.052987 (E_RNA)
where:
Base-Base interactions energy: -577.202
where: short stacking energy: -291.210
Base-Backbone interact. energy: -2.770
local terms energy: -411.081777
where:
bonds (distance) C4'-P energy: -103.717
bonds (distance) P-C4' energy: -125.693
flat angles C4'-P-C4' energy: -99.647
flat angles P-C4'-P energy: -44.388
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2563.970602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.970602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.970602 (E_RNA)
where:
Base-Base interactions energy: -1810.520
where: short stacking energy: -750.667
Base-Backbone interact. energy: -1.996
local terms energy: -751.455106
where:
bonds (distance) C4'-P energy: -143.157
bonds (distance) P-C4' energy: -137.558
flat angles C4'-P-C4' energy: -150.338
flat angles P-C4'-P energy: -105.610
tors. eta vs tors. theta energy: -214.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2504.334177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.334177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.334177 (E_RNA)
where:
Base-Base interactions energy: -1775.767
where: short stacking energy: -760.120
Base-Backbone interact. energy: 0.301
local terms energy: -728.868174
where:
bonds (distance) C4'-P energy: -139.518
bonds (distance) P-C4' energy: -146.948
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -93.462
tors. eta vs tors. theta energy: -199.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2336.949881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.949881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.949881 (E_RNA)
where:
Base-Base interactions energy: -1646.685
where: short stacking energy: -681.972
Base-Backbone interact. energy: -3.870
local terms energy: -686.394379
where:
bonds (distance) C4'-P energy: -115.332
bonds (distance) P-C4' energy: -127.757
flat angles C4'-P-C4' energy: -159.671
flat angles P-C4'-P energy: -96.096
tors. eta vs tors. theta energy: -187.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2257.745473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.745473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.745473 (E_RNA)
where:
Base-Base interactions energy: -1558.437
where: short stacking energy: -678.244
Base-Backbone interact. energy: 0.066
local terms energy: -699.374106
where:
bonds (distance) C4'-P energy: -129.927
bonds (distance) P-C4' energy: -120.456
flat angles C4'-P-C4' energy: -160.257
flat angles P-C4'-P energy: -97.210
tors. eta vs tors. theta energy: -191.524
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: 179
Temperature: 1.100000
Total energy: -2117.596318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.596318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.596318 (E_RNA)
where:
Base-Base interactions energy: -1482.175
where: short stacking energy: -674.160
Base-Backbone interact. energy: -3.535
local terms energy: -631.886733
where:
bonds (distance) C4'-P energy: -115.757
bonds (distance) P-C4' energy: -121.846
flat angles C4'-P-C4' energy: -139.193
flat angles P-C4'-P energy: -72.501
tors. eta vs tors. theta energy: -182.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -2071.460042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.460042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.460042 (E_RNA)
where:
Base-Base interactions energy: -1406.634
where: short stacking energy: -633.907
Base-Backbone interact. energy: -2.608
local terms energy: -662.217880
where:
bonds (distance) C4'-P energy: -118.229
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -147.165
flat angles P-C4'-P energy: -76.766
tors. eta vs tors. theta energy: -191.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1881.374243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.374243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.374243 (E_RNA)
where:
Base-Base interactions energy: -1304.358
where: short stacking energy: -585.415
Base-Backbone interact. energy: -0.174
local terms energy: -576.842142
where:
bonds (distance) C4'-P energy: -117.415
bonds (distance) P-C4' energy: -100.307
flat angles C4'-P-C4' energy: -118.127
flat angles P-C4'-P energy: -96.673
tors. eta vs tors. theta energy: -144.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1526.629180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.629180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.629180 (E_RNA)
where:
Base-Base interactions energy: -1005.087
where: short stacking energy: -451.883
Base-Backbone interact. energy: -3.188
local terms energy: -518.353864
where:
bonds (distance) C4'-P energy: -96.418
bonds (distance) P-C4' energy: -114.862
flat angles C4'-P-C4' energy: -133.370
flat angles P-C4'-P energy: -84.615
tors. eta vs tors. theta energy: -89.090
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: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1385.677959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.677959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.677959 (E_RNA)
where:
Base-Base interactions energy: -918.733
where: short stacking energy: -393.618
Base-Backbone interact. energy: 0.983
local terms energy: -467.927558
where:
bonds (distance) C4'-P energy: -93.445
bonds (distance) P-C4' energy: -100.287
flat angles C4'-P-C4' energy: -116.803
flat angles P-C4'-P energy: -79.518
tors. eta vs tors. theta energy: -77.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -984.880689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.880689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.880689 (E_RNA)
where:
Base-Base interactions energy: -606.968
where: short stacking energy: -281.253
Base-Backbone interact. energy: 5.970
local terms energy: -383.882349
where:
bonds (distance) C4'-P energy: -100.100
bonds (distance) P-C4' energy: -116.330
flat angles C4'-P-C4' energy: -91.703
flat angles P-C4'-P energy: -54.640
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2535.563400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.563400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.563400 (E_RNA)
where:
Base-Base interactions energy: -1777.832
where: short stacking energy: -753.898
Base-Backbone interact. energy: -2.728
local terms energy: -755.003743
where:
bonds (distance) C4'-P energy: -136.017
bonds (distance) P-C4' energy: -138.542
flat angles C4'-P-C4' energy: -158.004
flat angles P-C4'-P energy: -101.271
tors. eta vs tors. theta energy: -221.169
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: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2490.819849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.819849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.819849 (E_RNA)
where:
Base-Base interactions energy: -1779.257
where: short stacking energy: -759.930
Base-Backbone interact. energy: -0.806
local terms energy: -710.756570
where:
bonds (distance) C4'-P energy: -124.808
bonds (distance) P-C4' energy: -145.252
flat angles C4'-P-C4' energy: -155.161
flat angles P-C4'-P energy: -80.356
tors. eta vs tors. theta energy: -205.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2309.740671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.740671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.740671 (E_RNA)
where:
Base-Base interactions energy: -1606.442
where: short stacking energy: -700.126
Base-Backbone interact. energy: -2.772
local terms energy: -700.526061
where:
bonds (distance) C4'-P energy: -119.314
bonds (distance) P-C4' energy: -114.761
flat angles C4'-P-C4' energy: -168.778
flat angles P-C4'-P energy: -93.557
tors. eta vs tors. theta energy: -204.115
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: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2319.193947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.193947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.193947 (E_RNA)
where:
Base-Base interactions energy: -1630.055
where: short stacking energy: -670.553
Base-Backbone interact. energy: -4.507
local terms energy: -684.630996
where:
bonds (distance) C4'-P energy: -123.364
bonds (distance) P-C4' energy: -130.899
flat angles C4'-P-C4' energy: -147.588
flat angles P-C4'-P energy: -96.228
tors. eta vs tors. theta energy: -186.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2159.420949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.420949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.420949 (E_RNA)
where:
Base-Base interactions energy: -1487.817
where: short stacking energy: -613.683
Base-Backbone interact. energy: -2.173
local terms energy: -669.430875
where:
bonds (distance) C4'-P energy: -122.178
bonds (distance) P-C4' energy: -141.276
flat angles C4'-P-C4' energy: -147.037
flat angles P-C4'-P energy: -93.958
tors. eta vs tors. theta energy: -164.982
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: 180
Temperature: 1.150000
Total energy: -2088.394839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.394839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.394839 (E_RNA)
where:
Base-Base interactions energy: -1412.952
where: short stacking energy: -591.555
Base-Backbone interact. energy: -0.439
local terms energy: -675.004020
where:
bonds (distance) C4'-P energy: -125.228
bonds (distance) P-C4' energy: -139.820
flat angles C4'-P-C4' energy: -141.131
flat angles P-C4'-P energy: -90.040
tors. eta vs tors. theta energy: -178.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1813.180522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.180522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.180522 (E_RNA)
where:
Base-Base interactions energy: -1229.562
where: short stacking energy: -535.199
Base-Backbone interact. energy: 1.511
local terms energy: -585.129604
where:
bonds (distance) C4'-P energy: -97.038
bonds (distance) P-C4' energy: -131.868
flat angles C4'-P-C4' energy: -132.714
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -140.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1558.348687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.348687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.348687 (E_RNA)
where:
Base-Base interactions energy: -1064.732
where: short stacking energy: -465.210
Base-Backbone interact. energy: -4.298
local terms energy: -489.318677
where:
bonds (distance) C4'-P energy: -101.846
bonds (distance) P-C4' energy: -97.550
flat angles C4'-P-C4' energy: -118.367
flat angles P-C4'-P energy: -72.403
tors. eta vs tors. theta energy: -99.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1432.652119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.652119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.652119 (E_RNA)
where:
Base-Base interactions energy: -914.314
where: short stacking energy: -404.712
Base-Backbone interact. energy: -0.033
local terms energy: -518.305591
where:
bonds (distance) C4'-P energy: -104.497
bonds (distance) P-C4' energy: -143.558
flat angles C4'-P-C4' energy: -117.125
flat angles P-C4'-P energy: -66.380
tors. eta vs tors. theta energy: -86.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -1048.147003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.147003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.147003 (E_RNA)
where:
Base-Base interactions energy: -630.258
where: short stacking energy: -324.453
Base-Backbone interact. energy: 8.256
local terms energy: -426.144513
where:
bonds (distance) C4'-P energy: -114.562
bonds (distance) P-C4' energy: -91.944
flat angles C4'-P-C4' energy: -94.012
flat angles P-C4'-P energy: -72.103
tors. eta vs tors. theta energy: -53.524
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: 181
Temperature: 0.900000
Total energy: -2554.425252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.425252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.425252 (E_RNA)
where:
Base-Base interactions energy: -1806.777
where: short stacking energy: -752.839
Base-Backbone interact. energy: -4.413
local terms energy: -743.235359
where:
bonds (distance) C4'-P energy: -142.035
bonds (distance) P-C4' energy: -138.388
flat angles C4'-P-C4' energy: -151.425
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -206.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -2474.308088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.308088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.308088 (E_RNA)
where:
Base-Base interactions energy: -1745.091
where: short stacking energy: -732.352
Base-Backbone interact. energy: 2.916
local terms energy: -732.133635
where:
bonds (distance) C4'-P energy: -129.330
bonds (distance) P-C4' energy: -136.488
flat angles C4'-P-C4' energy: -159.305
flat angles P-C4'-P energy: -100.883
tors. eta vs tors. theta energy: -206.128
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: 3, replica: 5
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2335.508060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.508060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.508060 (E_RNA)
where:
Base-Base interactions energy: -1623.502
where: short stacking energy: -729.346
Base-Backbone interact. energy: -0.371
local terms energy: -711.634320
where:
bonds (distance) C4'-P energy: -139.034
bonds (distance) P-C4' energy: -121.938
flat angles C4'-P-C4' energy: -151.481
flat angles P-C4'-P energy: -91.979
tors. eta vs tors. theta energy: -207.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2301.801992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.801992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.801992 (E_RNA)
where:
Base-Base interactions energy: -1584.644
where: short stacking energy: -659.864
Base-Backbone interact. energy: -2.692
local terms energy: -714.466040
where:
bonds (distance) C4'-P energy: -122.424
bonds (distance) P-C4' energy: -136.634
flat angles C4'-P-C4' energy: -164.735
flat angles P-C4'-P energy: -102.347
tors. eta vs tors. theta energy: -188.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2150.213945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.213945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.213945 (E_RNA)
where:
Base-Base interactions energy: -1468.876
where: short stacking energy: -662.692
Base-Backbone interact. energy: -2.350
local terms energy: -678.988345
where:
bonds (distance) C4'-P energy: -113.085
bonds (distance) P-C4' energy: -133.926
flat angles C4'-P-C4' energy: -140.999
flat angles P-C4'-P energy: -93.409
tors. eta vs tors. theta energy: -197.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -2048.769783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.769783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.769783 (E_RNA)
where:
Base-Base interactions energy: -1407.472
where: short stacking energy: -624.039
Base-Backbone interact. energy: -1.345
local terms energy: -639.952532
where:
bonds (distance) C4'-P energy: -127.802
bonds (distance) P-C4' energy: -116.118
flat angles C4'-P-C4' energy: -140.662
flat angles P-C4'-P energy: -85.779
tors. eta vs tors. theta energy: -169.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1861.545458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.545458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.545458 (E_RNA)
where:
Base-Base interactions energy: -1278.589
where: short stacking energy: -560.606
Base-Backbone interact. energy: 2.369
local terms energy: -585.324789
where:
bonds (distance) C4'-P energy: -118.513
bonds (distance) P-C4' energy: -118.948
flat angles C4'-P-C4' energy: -131.962
flat angles P-C4'-P energy: -71.774
tors. eta vs tors. theta energy: -144.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1521.153516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.153516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.153516 (E_RNA)
where:
Base-Base interactions energy: -1027.388
where: short stacking energy: -437.588
Base-Backbone interact. energy: 0.656
local terms energy: -494.421131
where:
bonds (distance) C4'-P energy: -105.311
bonds (distance) P-C4' energy: -113.280
flat angles C4'-P-C4' energy: -123.587
flat angles P-C4'-P energy: -59.452
tors. eta vs tors. theta energy: -92.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1413.986698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.986698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.986698 (E_RNA)
where:
Base-Base interactions energy: -936.187
where: short stacking energy: -420.294
Base-Backbone interact. energy: 4.248
local terms energy: -482.047666
where:
bonds (distance) C4'-P energy: -116.878
bonds (distance) P-C4' energy: -117.161
flat angles C4'-P-C4' energy: -100.031
flat angles P-C4'-P energy: -74.293
tors. eta vs tors. theta energy: -73.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -978.623520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.623520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.623520 (E_RNA)
where:
Base-Base interactions energy: -546.044
where: short stacking energy: -277.234
Base-Backbone interact. energy: -0.687
local terms energy: -431.892119
where:
bonds (distance) C4'-P energy: -117.158
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -96.940
flat angles P-C4'-P energy: -69.019
tors. eta vs tors. theta energy: -31.198
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: 182
Temperature: 0.900000
Total energy: -2520.907971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.907971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.907971 (E_RNA)
where:
Base-Base interactions energy: -1757.269
where: short stacking energy: -745.196
Base-Backbone interact. energy: -3.914
local terms energy: -759.724239
where:
bonds (distance) C4'-P energy: -132.764
bonds (distance) P-C4' energy: -140.496
flat angles C4'-P-C4' energy: -156.101
flat angles P-C4'-P energy: -114.656
tors. eta vs tors. theta energy: -215.707
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: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2469.512007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.512007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.512007 (E_RNA)
where:
Base-Base interactions energy: -1753.930
where: short stacking energy: -739.348
Base-Backbone interact. energy: -6.722
local terms energy: -708.860052
where:
bonds (distance) C4'-P energy: -130.545
bonds (distance) P-C4' energy: -140.359
flat angles C4'-P-C4' energy: -152.513
flat angles P-C4'-P energy: -97.948
tors. eta vs tors. theta energy: -187.495
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: 182
Temperature: 1.000000
Total energy: -2316.186317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.186317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.186317 (E_RNA)
where:
Base-Base interactions energy: -1615.196
where: short stacking energy: -705.813
Base-Backbone interact. energy: 0.123
local terms energy: -701.113071
where:
bonds (distance) C4'-P energy: -129.046
bonds (distance) P-C4' energy: -136.044
flat angles C4'-P-C4' energy: -150.734
flat angles P-C4'-P energy: -103.550
tors. eta vs tors. theta energy: -181.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2254.653371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.653371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.653371 (E_RNA)
where:
Base-Base interactions energy: -1577.088
where: short stacking energy: -677.637
Base-Backbone interact. energy: -2.134
local terms energy: -675.430805
where:
bonds (distance) C4'-P energy: -134.328
bonds (distance) P-C4' energy: -124.605
flat angles C4'-P-C4' energy: -141.639
flat angles P-C4'-P energy: -95.343
tors. eta vs tors. theta energy: -179.515
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: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2128.049350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.049350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.049350 (E_RNA)
where:
Base-Base interactions energy: -1478.504
where: short stacking energy: -645.462
Base-Backbone interact. energy: 2.102
local terms energy: -651.647519
where:
bonds (distance) C4'-P energy: -129.005
bonds (distance) P-C4' energy: -112.022
flat angles C4'-P-C4' energy: -143.327
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -180.130
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: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -2087.727640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.727640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.727640 (E_RNA)
where:
Base-Base interactions energy: -1429.949
where: short stacking energy: -642.566
Base-Backbone interact. energy: -0.192
local terms energy: -657.586191
where:
bonds (distance) C4'-P energy: -131.197
bonds (distance) P-C4' energy: -123.378
flat angles C4'-P-C4' energy: -129.333
flat angles P-C4'-P energy: -99.373
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: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1868.512669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.512669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.512669 (E_RNA)
where:
Base-Base interactions energy: -1260.790
where: short stacking energy: -566.116
Base-Backbone interact. energy: 0.116
local terms energy: -607.839402
where:
bonds (distance) C4'-P energy: -112.695
bonds (distance) P-C4' energy: -132.816
flat angles C4'-P-C4' energy: -136.652
flat angles P-C4'-P energy: -86.249
tors. eta vs tors. theta energy: -139.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1460.929956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.929956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.929956 (E_RNA)
where:
Base-Base interactions energy: -964.749
where: short stacking energy: -408.750
Base-Backbone interact. energy: -0.680
local terms energy: -495.501226
where:
bonds (distance) C4'-P energy: -103.699
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -110.552
flat angles P-C4'-P energy: -79.486
tors. eta vs tors. theta energy: -75.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1395.356953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.356953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.356953 (E_RNA)
where:
Base-Base interactions energy: -877.801
where: short stacking energy: -390.226
Base-Backbone interact. energy: 2.756
local terms energy: -520.311860
where:
bonds (distance) C4'-P energy: -134.483
bonds (distance) P-C4' energy: -128.293
flat angles C4'-P-C4' energy: -113.464
flat angles P-C4'-P energy: -70.367
tors. eta vs tors. theta energy: -73.705
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: 8
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -1026.446087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.446087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.446087 (E_RNA)
where:
Base-Base interactions energy: -603.651
where: short stacking energy: -321.415
Base-Backbone interact. energy: -1.404
local terms energy: -421.390896
where:
bonds (distance) C4'-P energy: -105.868
bonds (distance) P-C4' energy: -130.451
flat angles C4'-P-C4' energy: -90.649
flat angles P-C4'-P energy: -51.568
tors. eta vs tors. theta energy: -42.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2552.935518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.935518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.935518 (E_RNA)
where:
Base-Base interactions energy: -1785.648
where: short stacking energy: -758.474
Base-Backbone interact. energy: -4.835
local terms energy: -762.452556
where:
bonds (distance) C4'-P energy: -132.648
bonds (distance) P-C4' energy: -148.032
flat angles C4'-P-C4' energy: -156.301
flat angles P-C4'-P energy: -111.530
tors. eta vs tors. theta energy: -213.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2485.726667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.726667 (E_RNA)
where:
Base-Base interactions energy: -1755.168
where: short stacking energy: -740.441
Base-Backbone interact. energy: -5.132
local terms energy: -725.427118
where:
bonds (distance) C4'-P energy: -125.735
bonds (distance) P-C4' energy: -136.006
flat angles C4'-P-C4' energy: -152.882
flat angles P-C4'-P energy: -111.146
tors. eta vs tors. theta energy: -199.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2352.387594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.387594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.387594 (E_RNA)
where:
Base-Base interactions energy: -1636.903
where: short stacking energy: -730.015
Base-Backbone interact. energy: -2.517
local terms energy: -712.967428
where:
bonds (distance) C4'-P energy: -139.760
bonds (distance) P-C4' energy: -122.917
flat angles C4'-P-C4' energy: -148.572
flat angles P-C4'-P energy: -99.423
tors. eta vs tors. theta energy: -202.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -2302.410113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.410113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.410113 (E_RNA)
where:
Base-Base interactions energy: -1623.385
where: short stacking energy: -649.820
Base-Backbone interact. energy: -1.279
local terms energy: -677.746381
where:
bonds (distance) C4'-P energy: -127.859
bonds (distance) P-C4' energy: -127.640
flat angles C4'-P-C4' energy: -151.470
flat angles P-C4'-P energy: -81.648
tors. eta vs tors. theta energy: -189.130
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: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2090.049703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.049703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.049703 (E_RNA)
where:
Base-Base interactions energy: -1446.442
where: short stacking energy: -642.433
Base-Backbone interact. energy: 2.274
local terms energy: -645.881749
where:
bonds (distance) C4'-P energy: -130.610
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -138.408
flat angles P-C4'-P energy: -81.574
tors. eta vs tors. theta energy: -165.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -2049.985885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.985885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.985885 (E_RNA)
where:
Base-Base interactions energy: -1420.581
where: short stacking energy: -648.309
Base-Backbone interact. energy: 0.862
local terms energy: -630.266937
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -120.332
flat angles C4'-P-C4' energy: -128.806
flat angles P-C4'-P energy: -81.619
tors. eta vs tors. theta energy: -188.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1849.362828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.362828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.362828 (E_RNA)
where:
Base-Base interactions energy: -1275.737
where: short stacking energy: -555.314
Base-Backbone interact. energy: 1.768
local terms energy: -575.393911
where:
bonds (distance) C4'-P energy: -109.786
bonds (distance) P-C4' energy: -108.864
flat angles C4'-P-C4' energy: -131.254
flat angles P-C4'-P energy: -87.039
tors. eta vs tors. theta energy: -138.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1478.519522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.519522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.519522 (E_RNA)
where:
Base-Base interactions energy: -968.374
where: short stacking energy: -426.183
Base-Backbone interact. energy: 0.274
local terms energy: -510.419153
where:
bonds (distance) C4'-P energy: -112.532
bonds (distance) P-C4' energy: -98.241
flat angles C4'-P-C4' energy: -122.920
flat angles P-C4'-P energy: -86.581
tors. eta vs tors. theta energy: -90.145
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: 9, replica: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1402.269139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.269139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.269139 (E_RNA)
where:
Base-Base interactions energy: -924.993
where: short stacking energy: -395.369
Base-Backbone interact. energy: -0.298
local terms energy: -476.977858
where:
bonds (distance) C4'-P energy: -112.443
bonds (distance) P-C4' energy: -122.662
flat angles C4'-P-C4' energy: -116.152
flat angles P-C4'-P energy: -66.759
tors. eta vs tors. theta energy: -58.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -1040.900267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.900267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.900267 (E_RNA)
where:
Base-Base interactions energy: -640.100
where: short stacking energy: -310.485
Base-Backbone interact. energy: 1.208
local terms energy: -402.008392
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -103.391
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -57.972
tors. eta vs tors. theta energy: -30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2512.976484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.976484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.976484 (E_RNA)
where:
Base-Base interactions energy: -1773.727
where: short stacking energy: -735.419
Base-Backbone interact. energy: -2.826
local terms energy: -736.423320
where:
bonds (distance) C4'-P energy: -147.491
bonds (distance) P-C4' energy: -137.121
flat angles C4'-P-C4' energy: -157.696
flat angles P-C4'-P energy: -93.203
tors. eta vs tors. theta energy: -200.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -2482.587598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.587598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.587598 (E_RNA)
where:
Base-Base interactions energy: -1757.627
where: short stacking energy: -729.586
Base-Backbone interact. energy: -3.533
local terms energy: -721.427557
where:
bonds (distance) C4'-P energy: -127.175
bonds (distance) P-C4' energy: -133.102
flat angles C4'-P-C4' energy: -154.373
flat angles P-C4'-P energy: -98.975
tors. eta vs tors. theta energy: -207.803
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: 3, replica: 5
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2328.731478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.731478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.731478 (E_RNA)
where:
Base-Base interactions energy: -1617.708
where: short stacking energy: -712.154
Base-Backbone interact. energy: -1.441
local terms energy: -709.582828
where:
bonds (distance) C4'-P energy: -122.303
bonds (distance) P-C4' energy: -135.011
flat angles C4'-P-C4' energy: -151.947
flat angles P-C4'-P energy: -97.119
tors. eta vs tors. theta energy: -203.202
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: 184
Temperature: 1.050000
Total energy: -2307.688804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.688804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.688804 (E_RNA)
where:
Base-Base interactions energy: -1645.060
where: short stacking energy: -688.344
Base-Backbone interact. energy: -2.668
local terms energy: -659.961203
where:
bonds (distance) C4'-P energy: -124.580
bonds (distance) P-C4' energy: -132.108
flat angles C4'-P-C4' energy: -130.857
flat angles P-C4'-P energy: -79.793
tors. eta vs tors. theta energy: -192.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2091.997903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.997903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.997903 (E_RNA)
where:
Base-Base interactions energy: -1422.154
where: short stacking energy: -621.682
Base-Backbone interact. energy: -2.468
local terms energy: -667.376770
where:
bonds (distance) C4'-P energy: -130.464
bonds (distance) P-C4' energy: -137.343
flat angles C4'-P-C4' energy: -143.029
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -163.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -2111.030169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.030169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.030169 (E_RNA)
where:
Base-Base interactions energy: -1470.424
where: short stacking energy: -656.524
Base-Backbone interact. energy: -1.078
local terms energy: -639.528306
where:
bonds (distance) C4'-P energy: -111.588
bonds (distance) P-C4' energy: -124.209
flat angles C4'-P-C4' energy: -136.193
flat angles P-C4'-P energy: -79.326
tors. eta vs tors. theta energy: -188.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1825.214693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.214693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.214693 (E_RNA)
where:
Base-Base interactions energy: -1265.937
where: short stacking energy: -548.969
Base-Backbone interact. energy: 4.934
local terms energy: -564.211737
where:
bonds (distance) C4'-P energy: -116.721
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -138.091
flat angles P-C4'-P energy: -56.710
tors. eta vs tors. theta energy: -134.722
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: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1457.832647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.832647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.832647 (E_RNA)
where:
Base-Base interactions energy: -972.715
where: short stacking energy: -414.242
Base-Backbone interact. energy: -2.153
local terms energy: -482.964094
where:
bonds (distance) C4'-P energy: -94.519
bonds (distance) P-C4' energy: -118.081
flat angles C4'-P-C4' energy: -128.471
flat angles P-C4'-P energy: -75.064
tors. eta vs tors. theta energy: -66.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1381.788053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.788053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.788053 (E_RNA)
where:
Base-Base interactions energy: -903.699
where: short stacking energy: -400.392
Base-Backbone interact. energy: -0.579
local terms energy: -477.509635
where:
bonds (distance) C4'-P energy: -86.891
bonds (distance) P-C4' energy: -111.686
flat angles C4'-P-C4' energy: -123.670
flat angles P-C4'-P energy: -84.499
tors. eta vs tors. theta energy: -70.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -939.949905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.949905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.949905 (E_RNA)
where:
Base-Base interactions energy: -540.881
where: short stacking energy: -287.503
Base-Backbone interact. energy: 1.966
local terms energy: -401.035081
where:
bonds (distance) C4'-P energy: -98.346
bonds (distance) P-C4' energy: -117.015
flat angles C4'-P-C4' energy: -86.819
flat angles P-C4'-P energy: -68.327
tors. eta vs tors. theta energy: -30.528
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: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2517.119063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.119063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.119063 (E_RNA)
where:
Base-Base interactions energy: -1799.046
where: short stacking energy: -736.536
Base-Backbone interact. energy: -2.539
local terms energy: -715.533766
where:
bonds (distance) C4'-P energy: -124.306
bonds (distance) P-C4' energy: -135.498
flat angles C4'-P-C4' energy: -155.484
flat angles P-C4'-P energy: -103.487
tors. eta vs tors. theta energy: -196.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2489.533721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.533721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.533721 (E_RNA)
where:
Base-Base interactions energy: -1727.209
where: short stacking energy: -729.672
Base-Backbone interact. energy: -5.899
local terms energy: -756.425797
where:
bonds (distance) C4'-P energy: -131.199
bonds (distance) P-C4' energy: -159.498
flat angles C4'-P-C4' energy: -152.605
flat angles P-C4'-P energy: -103.288
tors. eta vs tors. theta energy: -209.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2333.402678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.402678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.402678 (E_RNA)
where:
Base-Base interactions energy: -1599.526
where: short stacking energy: -705.384
Base-Backbone interact. energy: 0.180
local terms energy: -734.056811
where:
bonds (distance) C4'-P energy: -137.114
bonds (distance) P-C4' energy: -123.826
flat angles C4'-P-C4' energy: -160.416
flat angles P-C4'-P energy: -105.986
tors. eta vs tors. theta energy: -206.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2293.717808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.717808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.717808 (E_RNA)
where:
Base-Base interactions energy: -1617.463
where: short stacking energy: -659.769
Base-Backbone interact. energy: -1.718
local terms energy: -674.537750
where:
bonds (distance) C4'-P energy: -111.382
bonds (distance) P-C4' energy: -132.003
flat angles C4'-P-C4' energy: -148.684
flat angles P-C4'-P energy: -104.898
tors. eta vs tors. theta energy: -177.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2121.085922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.085922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.085922 (E_RNA)
where:
Base-Base interactions energy: -1454.800
where: short stacking energy: -624.311
Base-Backbone interact. energy: -0.934
local terms energy: -665.351916
where:
bonds (distance) C4'-P energy: -115.916
bonds (distance) P-C4' energy: -141.398
flat angles C4'-P-C4' energy: -142.763
flat angles P-C4'-P energy: -95.135
tors. eta vs tors. theta energy: -170.140
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: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -2069.556622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.556622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.556622 (E_RNA)
where:
Base-Base interactions energy: -1414.118
where: short stacking energy: -638.157
Base-Backbone interact. energy: -2.962
local terms energy: -652.476510
where:
bonds (distance) C4'-P energy: -110.075
bonds (distance) P-C4' energy: -121.159
flat angles C4'-P-C4' energy: -149.947
flat angles P-C4'-P energy: -93.341
tors. eta vs tors. theta energy: -177.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1846.234625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.234625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.234625 (E_RNA)
where:
Base-Base interactions energy: -1285.278
where: short stacking energy: -547.656
Base-Backbone interact. energy: 1.092
local terms energy: -562.049077
where:
bonds (distance) C4'-P energy: -98.167
bonds (distance) P-C4' energy: -112.201
flat angles C4'-P-C4' energy: -120.261
flat angles P-C4'-P energy: -82.228
tors. eta vs tors. theta energy: -149.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1443.244323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.244323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.244323 (E_RNA)
where:
Base-Base interactions energy: -968.288
where: short stacking energy: -409.731
Base-Backbone interact. energy: -1.507
local terms energy: -473.449099
where:
bonds (distance) C4'-P energy: -111.455
bonds (distance) P-C4' energy: -105.489
flat angles C4'-P-C4' energy: -117.176
flat angles P-C4'-P energy: -65.168
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: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1343.470115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.470115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.470115 (E_RNA)
where:
Base-Base interactions energy: -894.260
where: short stacking energy: -395.644
Base-Backbone interact. energy: -3.499
local terms energy: -445.710980
where:
bonds (distance) C4'-P energy: -103.249
bonds (distance) P-C4' energy: -113.502
flat angles C4'-P-C4' energy: -100.361
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -60.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -890.404117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.404117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.404117 (E_RNA)
where:
Base-Base interactions energy: -525.607
where: short stacking energy: -253.437
Base-Backbone interact. energy: 2.691
local terms energy: -367.488813
where:
bonds (distance) C4'-P energy: -108.036
bonds (distance) P-C4' energy: -114.005
flat angles C4'-P-C4' energy: -92.653
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2527.184541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.184541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.184541 (E_RNA)
where:
Base-Base interactions energy: -1784.210
where: short stacking energy: -748.712
Base-Backbone interact. energy: -3.533
local terms energy: -739.442048
where:
bonds (distance) C4'-P energy: -139.819
bonds (distance) P-C4' energy: -136.344
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -102.698
tors. eta vs tors. theta energy: -202.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2503.020314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.020314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.020314 (E_RNA)
where:
Base-Base interactions energy: -1741.935
where: short stacking energy: -765.054
Base-Backbone interact. energy: -2.945
local terms energy: -758.140258
where:
bonds (distance) C4'-P energy: -138.511
bonds (distance) P-C4' energy: -143.230
flat angles C4'-P-C4' energy: -154.502
flat angles P-C4'-P energy: -102.387
tors. eta vs tors. theta energy: -219.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2316.239198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.239198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.239198 (E_RNA)
where:
Base-Base interactions energy: -1593.134
where: short stacking energy: -702.872
Base-Backbone interact. energy: -3.056
local terms energy: -720.049724
where:
bonds (distance) C4'-P energy: -141.775
bonds (distance) P-C4' energy: -126.782
flat angles C4'-P-C4' energy: -143.426
flat angles P-C4'-P energy: -107.076
tors. eta vs tors. theta energy: -200.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2307.776592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.776592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.776592 (E_RNA)
where:
Base-Base interactions energy: -1607.389
where: short stacking energy: -680.246
Base-Backbone interact. energy: -3.489
local terms energy: -696.898623
where:
bonds (distance) C4'-P energy: -132.834
bonds (distance) P-C4' energy: -123.133
flat angles C4'-P-C4' energy: -155.029
flat angles P-C4'-P energy: -100.057
tors. eta vs tors. theta energy: -185.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2126.748870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.748870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.748870 (E_RNA)
where:
Base-Base interactions energy: -1437.704
where: short stacking energy: -646.763
Base-Backbone interact. energy: -2.297
local terms energy: -686.747767
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -128.367
flat angles C4'-P-C4' energy: -154.035
flat angles P-C4'-P energy: -99.505
tors. eta vs tors. theta energy: -184.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1992.050229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.050229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.050229 (E_RNA)
where:
Base-Base interactions energy: -1362.176
where: short stacking energy: -569.157
Base-Backbone interact. energy: 3.057
local terms energy: -632.931619
where:
bonds (distance) C4'-P energy: -123.499
bonds (distance) P-C4' energy: -134.033
flat angles C4'-P-C4' energy: -146.546
flat angles P-C4'-P energy: -75.781
tors. eta vs tors. theta energy: -153.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1845.888653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.888653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.888653 (E_RNA)
where:
Base-Base interactions energy: -1250.693
where: short stacking energy: -552.466
Base-Backbone interact. energy: 0.815
local terms energy: -596.010037
where:
bonds (distance) C4'-P energy: -130.439
bonds (distance) P-C4' energy: -113.835
flat angles C4'-P-C4' energy: -133.793
flat angles P-C4'-P energy: -83.953
tors. eta vs tors. theta energy: -133.989
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: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1500.430004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.430004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.430004 (E_RNA)
where:
Base-Base interactions energy: -1005.563
where: short stacking energy: -408.761
Base-Backbone interact. energy: -2.209
local terms energy: -492.658417
where:
bonds (distance) C4'-P energy: -120.470
bonds (distance) P-C4' energy: -101.526
flat angles C4'-P-C4' energy: -122.709
flat angles P-C4'-P energy: -73.065
tors. eta vs tors. theta energy: -74.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1359.105353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.105353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.105353 (E_RNA)
where:
Base-Base interactions energy: -891.468
where: short stacking energy: -410.446
Base-Backbone interact. energy: 0.453
local terms energy: -468.090130
where:
bonds (distance) C4'-P energy: -110.552
bonds (distance) P-C4' energy: -118.200
flat angles C4'-P-C4' energy: -107.245
flat angles P-C4'-P energy: -76.045
tors. eta vs tors. theta energy: -56.048
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: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -884.105042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.105042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.105042 (E_RNA)
where:
Base-Base interactions energy: -508.968
where: short stacking energy: -260.729
Base-Backbone interact. energy: -0.600
local terms energy: -374.537528
where:
bonds (distance) C4'-P energy: -106.111
bonds (distance) P-C4' energy: -83.266
flat angles C4'-P-C4' energy: -123.297
flat angles P-C4'-P energy: -59.612
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2535.120975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.120975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.120975 (E_RNA)
where:
Base-Base interactions energy: -1776.340
where: short stacking energy: -738.516
Base-Backbone interact. energy: -2.760
local terms energy: -756.021400
where:
bonds (distance) C4'-P energy: -144.039
bonds (distance) P-C4' energy: -139.879
flat angles C4'-P-C4' energy: -167.147
flat angles P-C4'-P energy: -95.203
tors. eta vs tors. theta energy: -209.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2469.105564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.105564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.105564 (E_RNA)
where:
Base-Base interactions energy: -1748.666
where: short stacking energy: -735.214
Base-Backbone interact. energy: -3.364
local terms energy: -717.075542
where:
bonds (distance) C4'-P energy: -126.542
bonds (distance) P-C4' energy: -134.806
flat angles C4'-P-C4' energy: -157.122
flat angles P-C4'-P energy: -94.308
tors. eta vs tors. theta energy: -204.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2304.464021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.464021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.464021 (E_RNA)
where:
Base-Base interactions energy: -1590.565
where: short stacking energy: -695.774
Base-Backbone interact. energy: -1.729
local terms energy: -712.169475
where:
bonds (distance) C4'-P energy: -127.597
bonds (distance) P-C4' energy: -129.139
flat angles C4'-P-C4' energy: -155.341
flat angles P-C4'-P energy: -99.709
tors. eta vs tors. theta energy: -200.385
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2227.429380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.429380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.429380 (E_RNA)
where:
Base-Base interactions energy: -1529.036
where: short stacking energy: -704.491
Base-Backbone interact. energy: -1.445
local terms energy: -696.948256
where:
bonds (distance) C4'-P energy: -133.186
bonds (distance) P-C4' energy: -124.204
flat angles C4'-P-C4' energy: -157.577
flat angles P-C4'-P energy: -93.655
tors. eta vs tors. theta energy: -188.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2247.599250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.599250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.599250 (E_RNA)
where:
Base-Base interactions energy: -1583.555
where: short stacking energy: -660.291
Base-Backbone interact. energy: -1.661
local terms energy: -662.383408
where:
bonds (distance) C4'-P energy: -123.848
bonds (distance) P-C4' energy: -111.703
flat angles C4'-P-C4' energy: -144.543
flat angles P-C4'-P energy: -92.018
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: 6, replica: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -2035.254855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.254855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.254855 (E_RNA)
where:
Base-Base interactions energy: -1427.311
where: short stacking energy: -613.688
Base-Backbone interact. energy: -3.240
local terms energy: -604.703732
where:
bonds (distance) C4'-P energy: -106.239
bonds (distance) P-C4' energy: -124.108
flat angles C4'-P-C4' energy: -133.162
flat angles P-C4'-P energy: -79.482
tors. eta vs tors. theta energy: -161.713
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: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1891.189950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.189950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.189950 (E_RNA)
where:
Base-Base interactions energy: -1313.544
where: short stacking energy: -567.312
Base-Backbone interact. energy: -2.437
local terms energy: -575.209158
where:
bonds (distance) C4'-P energy: -116.257
bonds (distance) P-C4' energy: -116.686
flat angles C4'-P-C4' energy: -120.184
flat angles P-C4'-P energy: -83.466
tors. eta vs tors. theta energy: -138.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1416.024142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.024142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.024142 (E_RNA)
where:
Base-Base interactions energy: -930.764
where: short stacking energy: -429.887
Base-Backbone interact. energy: -5.718
local terms energy: -479.541697
where:
bonds (distance) C4'-P energy: -108.474
bonds (distance) P-C4' energy: -116.778
flat angles C4'-P-C4' energy: -111.220
flat angles P-C4'-P energy: -65.385
tors. eta vs tors. theta energy: -77.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1455.727340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.727340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.727340 (E_RNA)
where:
Base-Base interactions energy: -948.516
where: short stacking energy: -429.036
Base-Backbone interact. energy: 5.317
local terms energy: -512.527556
where:
bonds (distance) C4'-P energy: -96.301
bonds (distance) P-C4' energy: -115.454
flat angles C4'-P-C4' energy: -119.101
flat angles P-C4'-P energy: -96.858
tors. eta vs tors. theta energy: -84.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -891.619949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.619949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.619949 (E_RNA)
where:
Base-Base interactions energy: -518.402
where: short stacking energy: -250.797
Base-Backbone interact. energy: -5.244
local terms energy: -367.973570
where:
bonds (distance) C4'-P energy: -108.474
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -92.813
flat angles P-C4'-P energy: -50.766
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2549.101827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.101827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.101827 (E_RNA)
where:
Base-Base interactions energy: -1779.881
where: short stacking energy: -742.966
Base-Backbone interact. energy: -4.241
local terms energy: -764.979398
where:
bonds (distance) C4'-P energy: -136.691
bonds (distance) P-C4' energy: -135.164
flat angles C4'-P-C4' energy: -168.544
flat angles P-C4'-P energy: -117.044
tors. eta vs tors. theta energy: -207.537
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: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2480.898858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.898858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.898858 (E_RNA)
where:
Base-Base interactions energy: -1770.747
where: short stacking energy: -751.637
Base-Backbone interact. energy: -1.463
local terms energy: -708.688957
where:
bonds (distance) C4'-P energy: -132.908
bonds (distance) P-C4' energy: -130.337
flat angles C4'-P-C4' energy: -150.669
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -210.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -2340.930400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.930400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.930400 (E_RNA)
where:
Base-Base interactions energy: -1627.437
where: short stacking energy: -697.306
Base-Backbone interact. energy: -0.642
local terms energy: -712.851015
where:
bonds (distance) C4'-P energy: -132.827
bonds (distance) P-C4' energy: -125.786
flat angles C4'-P-C4' energy: -148.064
flat angles P-C4'-P energy: -107.309
tors. eta vs tors. theta energy: -198.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2214.252067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.252067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.252067 (E_RNA)
where:
Base-Base interactions energy: -1517.218
where: short stacking energy: -678.056
Base-Backbone interact. energy: -2.266
local terms energy: -694.767997
where:
bonds (distance) C4'-P energy: -119.579
bonds (distance) P-C4' energy: -129.375
flat angles C4'-P-C4' energy: -142.232
flat angles P-C4'-P energy: -104.981
tors. eta vs tors. theta energy: -198.601
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: 188
Temperature: 1.100000
Total energy: -2205.523806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.523806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.523806 (E_RNA)
where:
Base-Base interactions energy: -1577.935
where: short stacking energy: -634.852
Base-Backbone interact. energy: -3.882
local terms energy: -623.706876
where:
bonds (distance) C4'-P energy: -114.119
bonds (distance) P-C4' energy: -122.798
flat angles C4'-P-C4' energy: -127.662
flat angles P-C4'-P energy: -81.910
tors. eta vs tors. theta energy: -177.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -2004.245252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.245252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.245252 (E_RNA)
where:
Base-Base interactions energy: -1406.235
where: short stacking energy: -604.353
Base-Backbone interact. energy: 0.282
local terms energy: -598.292277
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -123.958
flat angles C4'-P-C4' energy: -126.267
flat angles P-C4'-P energy: -79.027
tors. eta vs tors. theta energy: -153.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1905.514607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.514607 (E_RNA)
where:
Base-Base interactions energy: -1320.730
where: short stacking energy: -569.886
Base-Backbone interact. energy: -2.871
local terms energy: -581.913139
where:
bonds (distance) C4'-P energy: -106.234
bonds (distance) P-C4' energy: -112.096
flat angles C4'-P-C4' energy: -132.277
flat angles P-C4'-P energy: -82.491
tors. eta vs tors. theta energy: -148.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1401.691588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.691588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.691588 (E_RNA)
where:
Base-Base interactions energy: -921.371
where: short stacking energy: -406.477
Base-Backbone interact. energy: 0.457
local terms energy: -480.777129
where:
bonds (distance) C4'-P energy: -98.251
bonds (distance) P-C4' energy: -121.752
flat angles C4'-P-C4' energy: -109.344
flat angles P-C4'-P energy: -79.910
tors. eta vs tors. theta energy: -71.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1372.385004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.385004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.385004 (E_RNA)
where:
Base-Base interactions energy: -907.857
where: short stacking energy: -409.276
Base-Backbone interact. energy: -0.426
local terms energy: -464.102117
where:
bonds (distance) C4'-P energy: -96.931
bonds (distance) P-C4' energy: -122.927
flat angles C4'-P-C4' energy: -107.929
flat angles P-C4'-P energy: -71.550
tors. eta vs tors. theta energy: -64.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -884.406735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.406735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.406735 (E_RNA)
where:
Base-Base interactions energy: -488.211
where: short stacking energy: -246.690
Base-Backbone interact. energy: -1.200
local terms energy: -394.996206
where:
bonds (distance) C4'-P energy: -110.573
bonds (distance) P-C4' energy: -123.242
flat angles C4'-P-C4' energy: -101.057
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2557.880996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.880996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.880996 (E_RNA)
where:
Base-Base interactions energy: -1809.470
where: short stacking energy: -754.883
Base-Backbone interact. energy: -1.139
local terms energy: -747.272229
where:
bonds (distance) C4'-P energy: -136.681
bonds (distance) P-C4' energy: -140.576
flat angles C4'-P-C4' energy: -163.446
flat angles P-C4'-P energy: -99.782
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: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2488.525095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.525095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.525095 (E_RNA)
where:
Base-Base interactions energy: -1746.387
where: short stacking energy: -730.986
Base-Backbone interact. energy: -3.682
local terms energy: -738.456733
where:
bonds (distance) C4'-P energy: -134.116
bonds (distance) P-C4' energy: -151.536
flat angles C4'-P-C4' energy: -152.062
flat angles P-C4'-P energy: -99.312
tors. eta vs tors. theta energy: -201.431
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: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2363.545814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.545814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.545814 (E_RNA)
where:
Base-Base interactions energy: -1661.764
where: short stacking energy: -722.964
Base-Backbone interact. energy: 0.038
local terms energy: -701.820220
where:
bonds (distance) C4'-P energy: -135.797
bonds (distance) P-C4' energy: -130.533
flat angles C4'-P-C4' energy: -145.817
flat angles P-C4'-P energy: -92.270
tors. eta vs tors. theta energy: -197.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2310.913638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.913638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.913638 (E_RNA)
where:
Base-Base interactions energy: -1634.501
where: short stacking energy: -667.880
Base-Backbone interact. energy: -3.164
local terms energy: -673.248084
where:
bonds (distance) C4'-P energy: -122.567
bonds (distance) P-C4' energy: -133.090
flat angles C4'-P-C4' energy: -147.795
flat angles P-C4'-P energy: -80.824
tors. eta vs tors. theta energy: -188.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2140.667982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.667982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.667982 (E_RNA)
where:
Base-Base interactions energy: -1475.129
where: short stacking energy: -680.900
Base-Backbone interact. energy: -2.263
local terms energy: -663.276060
where:
bonds (distance) C4'-P energy: -121.792
bonds (distance) P-C4' energy: -124.986
flat angles C4'-P-C4' energy: -143.995
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -177.856
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: 6, replica: 6
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1967.880619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.880619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.880619 (E_RNA)
where:
Base-Base interactions energy: -1346.103
where: short stacking energy: -555.682
Base-Backbone interact. energy: -3.343
local terms energy: -618.433628
where:
bonds (distance) C4'-P energy: -116.163
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -137.031
flat angles P-C4'-P energy: -87.525
tors. eta vs tors. theta energy: -144.562
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: 4
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1863.531495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.531495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.531495 (E_RNA)
where:
Base-Base interactions energy: -1322.216
where: short stacking energy: -578.534
Base-Backbone interact. energy: -0.458
local terms energy: -540.857309
where:
bonds (distance) C4'-P energy: -110.753
bonds (distance) P-C4' energy: -94.863
flat angles C4'-P-C4' energy: -129.723
flat angles P-C4'-P energy: -73.842
tors. eta vs tors. theta energy: -131.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1484.636069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.636069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.636069 (E_RNA)
where:
Base-Base interactions energy: -972.877
where: short stacking energy: -435.408
Base-Backbone interact. energy: -0.548
local terms energy: -511.211322
where:
bonds (distance) C4'-P energy: -102.805
bonds (distance) P-C4' energy: -109.128
flat angles C4'-P-C4' energy: -131.588
flat angles P-C4'-P energy: -80.153
tors. eta vs tors. theta energy: -87.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1377.806992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.806992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.806992 (E_RNA)
where:
Base-Base interactions energy: -908.226
where: short stacking energy: -405.721
Base-Backbone interact. energy: 0.851
local terms energy: -470.432002
where:
bonds (distance) C4'-P energy: -101.514
bonds (distance) P-C4' energy: -118.266
flat angles C4'-P-C4' energy: -111.889
flat angles P-C4'-P energy: -69.529
tors. eta vs tors. theta energy: -69.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -973.367406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.367406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.367406 (E_RNA)
where:
Base-Base interactions energy: -586.881
where: short stacking energy: -300.937
Base-Backbone interact. energy: -0.353
local terms energy: -386.134125
where:
bonds (distance) C4'-P energy: -99.458
bonds (distance) P-C4' energy: -121.781
flat angles C4'-P-C4' energy: -98.681
flat angles P-C4'-P energy: -28.768
tors. eta vs tors. theta energy: -37.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2558.051614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.051614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.051614 (E_RNA)
where:
Base-Base interactions energy: -1802.586
where: short stacking energy: -745.379
Base-Backbone interact. energy: -4.930
local terms energy: -750.535151
where:
bonds (distance) C4'-P energy: -139.870
bonds (distance) P-C4' energy: -152.184
flat angles C4'-P-C4' energy: -158.678
flat angles P-C4'-P energy: -99.390
tors. eta vs tors. theta energy: -200.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2483.613965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.613965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.613965 (E_RNA)
where:
Base-Base interactions energy: -1780.374
where: short stacking energy: -754.056
Base-Backbone interact. energy: -3.005
local terms energy: -700.234716
where:
bonds (distance) C4'-P energy: -115.358
bonds (distance) P-C4' energy: -137.104
flat angles C4'-P-C4' energy: -142.653
flat angles P-C4'-P energy: -105.160
tors. eta vs tors. theta energy: -199.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2364.575369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.575369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.575369 (E_RNA)
where:
Base-Base interactions energy: -1693.215
where: short stacking energy: -669.875
Base-Backbone interact. energy: -1.904
local terms energy: -669.455874
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -127.339
flat angles C4'-P-C4' energy: -153.772
flat angles P-C4'-P energy: -80.831
tors. eta vs tors. theta energy: -184.619
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: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2246.989503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.989503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.989503 (E_RNA)
where:
Base-Base interactions energy: -1556.422
where: short stacking energy: -686.095
Base-Backbone interact. energy: -1.687
local terms energy: -688.880637
where:
bonds (distance) C4'-P energy: -125.371
bonds (distance) P-C4' energy: -128.895
flat angles C4'-P-C4' energy: -147.271
flat angles P-C4'-P energy: -94.056
tors. eta vs tors. theta energy: -193.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2182.786396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.786396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.786396 (E_RNA)
where:
Base-Base interactions energy: -1483.539
where: short stacking energy: -647.888
Base-Backbone interact. energy: -0.804
local terms energy: -698.442659
where:
bonds (distance) C4'-P energy: -137.635
bonds (distance) P-C4' energy: -118.861
flat angles C4'-P-C4' energy: -144.168
flat angles P-C4'-P energy: -105.438
tors. eta vs tors. theta energy: -192.341
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: 6
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -2000.987163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.987163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.987163 (E_RNA)
where:
Base-Base interactions energy: -1375.758
where: short stacking energy: -580.855
Base-Backbone interact. energy: -2.468
local terms energy: -622.761080
where:
bonds (distance) C4'-P energy: -129.264
bonds (distance) P-C4' energy: -123.500
flat angles C4'-P-C4' energy: -130.125
flat angles P-C4'-P energy: -91.362
tors. eta vs tors. theta energy: -148.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1833.051873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.051873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.051873 (E_RNA)
where:
Base-Base interactions energy: -1252.831
where: short stacking energy: -532.679
Base-Backbone interact. energy: 0.902
local terms energy: -581.123481
where:
bonds (distance) C4'-P energy: -111.277
bonds (distance) P-C4' energy: -120.367
flat angles C4'-P-C4' energy: -125.361
flat angles P-C4'-P energy: -90.639
tors. eta vs tors. theta energy: -133.479
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1479.656908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.656908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.656908 (E_RNA)
where:
Base-Base interactions energy: -948.292
where: short stacking energy: -426.734
Base-Backbone interact. energy: -2.044
local terms energy: -529.321232
where:
bonds (distance) C4'-P energy: -121.014
bonds (distance) P-C4' energy: -124.354
flat angles C4'-P-C4' energy: -129.963
flat angles P-C4'-P energy: -68.000
tors. eta vs tors. theta energy: -85.990
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: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1346.265999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.265999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.265999 (E_RNA)
where:
Base-Base interactions energy: -876.783
where: short stacking energy: -397.815
Base-Backbone interact. energy: -0.676
local terms energy: -468.807465
where:
bonds (distance) C4'-P energy: -110.090
bonds (distance) P-C4' energy: -110.286
flat angles C4'-P-C4' energy: -100.237
flat angles P-C4'-P energy: -58.714
tors. eta vs tors. theta energy: -89.480
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: 10, replica: 8
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -979.391021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.391021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.391021 (E_RNA)
where:
Base-Base interactions energy: -563.226
where: short stacking energy: -273.729
Base-Backbone interact. energy: -1.569
local terms energy: -414.595653
where:
bonds (distance) C4'-P energy: -116.118
bonds (distance) P-C4' energy: -106.778
flat angles C4'-P-C4' energy: -115.734
flat angles P-C4'-P energy: -53.914
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2551.126055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.126055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.126055 (E_RNA)
where:
Base-Base interactions energy: -1795.882
where: short stacking energy: -753.386
Base-Backbone interact. energy: 2.338
local terms energy: -757.582399
where:
bonds (distance) C4'-P energy: -144.284
bonds (distance) P-C4' energy: -145.517
flat angles C4'-P-C4' energy: -155.332
flat angles P-C4'-P energy: -110.084
tors. eta vs tors. theta energy: -202.365
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: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2461.042924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.042924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.042924 (E_RNA)
where:
Base-Base interactions energy: -1736.749
where: short stacking energy: -704.259
Base-Backbone interact. energy: -0.933
local terms energy: -723.361546
where:
bonds (distance) C4'-P energy: -116.075
bonds (distance) P-C4' energy: -131.518
flat angles C4'-P-C4' energy: -156.543
flat angles P-C4'-P energy: -117.971
tors. eta vs tors. theta energy: -201.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2426.537956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.537956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.537956 (E_RNA)
where:
Base-Base interactions energy: -1721.227
where: short stacking energy: -729.596
Base-Backbone interact. energy: -3.047
local terms energy: -702.264011
where:
bonds (distance) C4'-P energy: -126.043
bonds (distance) P-C4' energy: -136.761
flat angles C4'-P-C4' energy: -139.770
flat angles P-C4'-P energy: -106.736
tors. eta vs tors. theta energy: -192.954
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: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2251.628272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.628272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.628272 (E_RNA)
where:
Base-Base interactions energy: -1555.047
where: short stacking energy: -698.355
Base-Backbone interact. energy: 1.048
local terms energy: -697.629286
where:
bonds (distance) C4'-P energy: -121.027
bonds (distance) P-C4' energy: -122.092
flat angles C4'-P-C4' energy: -140.060
flat angles P-C4'-P energy: -109.860
tors. eta vs tors. theta energy: -204.590
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: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2178.649940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.649940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.649940 (E_RNA)
where:
Base-Base interactions energy: -1505.543
where: short stacking energy: -661.922
Base-Backbone interact. energy: -1.576
local terms energy: -671.530559
where:
bonds (distance) C4'-P energy: -118.123
bonds (distance) P-C4' energy: -115.893
flat angles C4'-P-C4' energy: -145.137
flat angles P-C4'-P energy: -102.161
tors. eta vs tors. theta energy: -190.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1941.541404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.541404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.541404 (E_RNA)
where:
Base-Base interactions energy: -1312.483
where: short stacking energy: -564.416
Base-Backbone interact. energy: -2.093
local terms energy: -626.964963
where:
bonds (distance) C4'-P energy: -109.586
bonds (distance) P-C4' energy: -143.142
flat angles C4'-P-C4' energy: -139.798
flat angles P-C4'-P energy: -99.073
tors. eta vs tors. theta energy: -135.365
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: 191
Temperature: 1.200000
Total energy: -1827.293009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.293009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.293009 (E_RNA)
where:
Base-Base interactions energy: -1263.915
where: short stacking energy: -528.919
Base-Backbone interact. energy: 0.004
local terms energy: -563.381911
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -131.044
flat angles P-C4'-P energy: -81.410
tors. eta vs tors. theta energy: -129.137
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: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1450.889070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.889070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.889070 (E_RNA)
where:
Base-Base interactions energy: -949.156
where: short stacking energy: -435.445
Base-Backbone interact. energy: -2.053
local terms energy: -499.679813
where:
bonds (distance) C4'-P energy: -105.295
bonds (distance) P-C4' energy: -122.703
flat angles C4'-P-C4' energy: -111.332
flat angles P-C4'-P energy: -74.600
tors. eta vs tors. theta energy: -85.750
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: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1362.796140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.796140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.796140 (E_RNA)
where:
Base-Base interactions energy: -885.249
where: short stacking energy: -374.509
Base-Backbone interact. energy: 0.279
local terms energy: -477.825872
where:
bonds (distance) C4'-P energy: -97.716
bonds (distance) P-C4' energy: -127.265
flat angles C4'-P-C4' energy: -113.586
flat angles P-C4'-P energy: -81.435
tors. eta vs tors. theta energy: -57.824
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: 8
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -1009.825895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.825895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.825895 (E_RNA)
where:
Base-Base interactions energy: -596.068
where: short stacking energy: -288.662
Base-Backbone interact. energy: -0.149
local terms energy: -413.609168
where:
bonds (distance) C4'-P energy: -111.540
bonds (distance) P-C4' energy: -105.643
flat angles C4'-P-C4' energy: -93.000
flat angles P-C4'-P energy: -68.700
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: 7
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2561.182486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.182486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.182486 (E_RNA)
where:
Base-Base interactions energy: -1797.841
where: short stacking energy: -750.039
Base-Backbone interact. energy: -2.919
local terms energy: -760.422463
where:
bonds (distance) C4'-P energy: -158.865
bonds (distance) P-C4' energy: -132.639
flat angles C4'-P-C4' energy: -157.081
flat angles P-C4'-P energy: -104.294
tors. eta vs tors. theta energy: -207.543
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: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2467.312846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.312846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.312846 (E_RNA)
where:
Base-Base interactions energy: -1744.397
where: short stacking energy: -722.988
Base-Backbone interact. energy: -6.120
local terms energy: -716.796287
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -136.585
flat angles C4'-P-C4' energy: -148.332
flat angles P-C4'-P energy: -111.921
tors. eta vs tors. theta energy: -205.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2420.341468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.341468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.341468 (E_RNA)
where:
Base-Base interactions energy: -1727.781
where: short stacking energy: -684.625
Base-Backbone interact. energy: 0.089
local terms energy: -692.649397
where:
bonds (distance) C4'-P energy: -119.194
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -153.046
flat angles P-C4'-P energy: -107.203
tors. eta vs tors. theta energy: -186.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2230.584564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.584564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.584564 (E_RNA)
where:
Base-Base interactions energy: -1535.735
where: short stacking energy: -704.890
Base-Backbone interact. energy: -0.452
local terms energy: -694.397851
where:
bonds (distance) C4'-P energy: -120.392
bonds (distance) P-C4' energy: -126.071
flat angles C4'-P-C4' energy: -150.593
flat angles P-C4'-P energy: -97.999
tors. eta vs tors. theta energy: -199.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2187.829645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.829645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.829645 (E_RNA)
where:
Base-Base interactions energy: -1547.239
where: short stacking energy: -659.633
Base-Backbone interact. energy: -2.483
local terms energy: -638.107536
where:
bonds (distance) C4'-P energy: -102.621
bonds (distance) P-C4' energy: -117.926
flat angles C4'-P-C4' energy: -150.055
flat angles P-C4'-P energy: -71.842
tors. eta vs tors. theta energy: -195.664
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: 6, replica: 6
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -2013.088665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.088665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.088665 (E_RNA)
where:
Base-Base interactions energy: -1424.139
where: short stacking energy: -593.618
Base-Backbone interact. energy: 4.098
local terms energy: -593.047374
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -119.861
flat angles C4'-P-C4' energy: -127.734
flat angles P-C4'-P energy: -85.263
tors. eta vs tors. theta energy: -153.488
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: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1786.909363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.909363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.909363 (E_RNA)
where:
Base-Base interactions energy: -1229.107
where: short stacking energy: -535.063
Base-Backbone interact. energy: 1.722
local terms energy: -559.524645
where:
bonds (distance) C4'-P energy: -107.496
bonds (distance) P-C4' energy: -109.434
flat angles C4'-P-C4' energy: -122.901
flat angles P-C4'-P energy: -72.531
tors. eta vs tors. theta energy: -147.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1478.196592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.196592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.196592 (E_RNA)
where:
Base-Base interactions energy: -954.003
where: short stacking energy: -439.760
Base-Backbone interact. energy: -0.008
local terms energy: -524.184928
where:
bonds (distance) C4'-P energy: -90.389
bonds (distance) P-C4' energy: -131.822
flat angles C4'-P-C4' energy: -115.492
flat angles P-C4'-P energy: -87.475
tors. eta vs tors. theta energy: -99.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1375.771028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.771028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.771028 (E_RNA)
where:
Base-Base interactions energy: -917.453
where: short stacking energy: -381.611
Base-Backbone interact. energy: -5.550
local terms energy: -452.768385
where:
bonds (distance) C4'-P energy: -115.439
bonds (distance) P-C4' energy: -117.312
flat angles C4'-P-C4' energy: -99.607
flat angles P-C4'-P energy: -52.866
tors. eta vs tors. theta energy: -67.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -981.460922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.460922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.460922 (E_RNA)
where:
Base-Base interactions energy: -585.514
where: short stacking energy: -270.373
Base-Backbone interact. energy: 4.966
local terms energy: -400.912378
where:
bonds (distance) C4'-P energy: -99.514
bonds (distance) P-C4' energy: -130.052
flat angles C4'-P-C4' energy: -97.250
flat angles P-C4'-P energy: -43.843
tors. eta vs tors. theta energy: -30.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2542.951848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.951848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.951848 (E_RNA)
where:
Base-Base interactions energy: -1782.836
where: short stacking energy: -766.038
Base-Backbone interact. energy: 1.695
local terms energy: -761.810799
where:
bonds (distance) C4'-P energy: -147.017
bonds (distance) P-C4' energy: -146.517
flat angles C4'-P-C4' energy: -156.050
flat angles P-C4'-P energy: -101.131
tors. eta vs tors. theta energy: -211.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2460.929810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.929810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.929810 (E_RNA)
where:
Base-Base interactions energy: -1740.939
where: short stacking energy: -738.401
Base-Backbone interact. energy: -2.825
local terms energy: -717.165852
where:
bonds (distance) C4'-P energy: -134.306
bonds (distance) P-C4' energy: -119.570
flat angles C4'-P-C4' energy: -145.985
flat angles P-C4'-P energy: -114.614
tors. eta vs tors. theta energy: -202.690
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: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2426.478584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.478584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.478584 (E_RNA)
where:
Base-Base interactions energy: -1725.976
where: short stacking energy: -708.605
Base-Backbone interact. energy: -2.029
local terms energy: -698.474376
where:
bonds (distance) C4'-P energy: -125.696
bonds (distance) P-C4' energy: -126.923
flat angles C4'-P-C4' energy: -161.667
flat angles P-C4'-P energy: -99.717
tors. eta vs tors. theta energy: -184.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2220.626750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.626750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.626750 (E_RNA)
where:
Base-Base interactions energy: -1539.742
where: short stacking energy: -671.888
Base-Backbone interact. energy: 1.354
local terms energy: -682.239363
where:
bonds (distance) C4'-P energy: -127.284
bonds (distance) P-C4' energy: -126.275
flat angles C4'-P-C4' energy: -149.742
flat angles P-C4'-P energy: -89.508
tors. eta vs tors. theta energy: -189.431
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: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2189.697801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.697801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.697801 (E_RNA)
where:
Base-Base interactions energy: -1524.747
where: short stacking energy: -645.880
Base-Backbone interact. energy: -2.559
local terms energy: -662.391494
where:
bonds (distance) C4'-P energy: -118.271
bonds (distance) P-C4' energy: -123.882
flat angles C4'-P-C4' energy: -146.112
flat angles P-C4'-P energy: -97.351
tors. eta vs tors. theta energy: -176.776
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: 193
Temperature: 1.150000
Total energy: -2042.736993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.736993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.736993 (E_RNA)
where:
Base-Base interactions energy: -1424.327
where: short stacking energy: -603.605
Base-Backbone interact. energy: 1.594
local terms energy: -620.004447
where:
bonds (distance) C4'-P energy: -114.674
bonds (distance) P-C4' energy: -118.082
flat angles C4'-P-C4' energy: -140.019
flat angles P-C4'-P energy: -89.586
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: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1836.993478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.993478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.993478 (E_RNA)
where:
Base-Base interactions energy: -1266.452
where: short stacking energy: -550.236
Base-Backbone interact. energy: 0.678
local terms energy: -571.220186
where:
bonds (distance) C4'-P energy: -113.900
bonds (distance) P-C4' energy: -117.113
flat angles C4'-P-C4' energy: -133.789
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -129.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1494.614604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.614604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.614604 (E_RNA)
where:
Base-Base interactions energy: -965.392
where: short stacking energy: -409.330
Base-Backbone interact. energy: -4.034
local terms energy: -525.188349
where:
bonds (distance) C4'-P energy: -104.104
bonds (distance) P-C4' energy: -119.852
flat angles C4'-P-C4' energy: -129.966
flat angles P-C4'-P energy: -91.458
tors. eta vs tors. theta energy: -79.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1323.163353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.163353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.163353 (E_RNA)
where:
Base-Base interactions energy: -884.777
where: short stacking energy: -408.340
Base-Backbone interact. energy: -0.827
local terms energy: -437.559846
where:
bonds (distance) C4'-P energy: -81.139
bonds (distance) P-C4' energy: -114.910
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -61.738
tors. eta vs tors. theta energy: -73.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -980.908675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.908675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.908675 (E_RNA)
where:
Base-Base interactions energy: -566.157
where: short stacking energy: -271.433
Base-Backbone interact. energy: -3.445
local terms energy: -411.306767
where:
bonds (distance) C4'-P energy: -101.548
bonds (distance) P-C4' energy: -122.571
flat angles C4'-P-C4' energy: -103.261
flat angles P-C4'-P energy: -66.721
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2519.837205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.837205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.837205 (E_RNA)
where:
Base-Base interactions energy: -1767.268
where: short stacking energy: -732.463
Base-Backbone interact. energy: -2.004
local terms energy: -750.565377
where:
bonds (distance) C4'-P energy: -139.115
bonds (distance) P-C4' energy: -134.790
flat angles C4'-P-C4' energy: -156.103
flat angles P-C4'-P energy: -110.222
tors. eta vs tors. theta energy: -210.335
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2540.129286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.129286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.129286 (E_RNA)
where:
Base-Base interactions energy: -1777.360
where: short stacking energy: -740.823
Base-Backbone interact. energy: -0.096
local terms energy: -762.672792
where:
bonds (distance) C4'-P energy: -137.980
bonds (distance) P-C4' energy: -133.455
flat angles C4'-P-C4' energy: -173.335
flat angles P-C4'-P energy: -104.433
tors. eta vs tors. theta energy: -213.470
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: 3, replica: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2483.376570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.376570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.376570 (E_RNA)
where:
Base-Base interactions energy: -1770.991
where: short stacking energy: -723.323
Base-Backbone interact. energy: -3.912
local terms energy: -708.473272
where:
bonds (distance) C4'-P energy: -121.712
bonds (distance) P-C4' energy: -129.682
flat angles C4'-P-C4' energy: -149.205
flat angles P-C4'-P energy: -108.638
tors. eta vs tors. theta energy: -199.236
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: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2272.080201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.080201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.080201 (E_RNA)
where:
Base-Base interactions energy: -1605.437
where: short stacking energy: -685.475
Base-Backbone interact. energy: 1.193
local terms energy: -667.836678
where:
bonds (distance) C4'-P energy: -127.358
bonds (distance) P-C4' energy: -116.689
flat angles C4'-P-C4' energy: -155.129
flat angles P-C4'-P energy: -75.838
tors. eta vs tors. theta energy: -192.823
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: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2161.502580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.502580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.502580 (E_RNA)
where:
Base-Base interactions energy: -1509.355
where: short stacking energy: -639.465
Base-Backbone interact. energy: -3.772
local terms energy: -648.374962
where:
bonds (distance) C4'-P energy: -118.592
bonds (distance) P-C4' energy: -131.654
flat angles C4'-P-C4' energy: -139.888
flat angles P-C4'-P energy: -95.243
tors. eta vs tors. theta energy: -162.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -2042.909945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.909945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.909945 (E_RNA)
where:
Base-Base interactions energy: -1421.576
where: short stacking energy: -606.926
Base-Backbone interact. energy: 0.423
local terms energy: -621.757088
where:
bonds (distance) C4'-P energy: -121.392
bonds (distance) P-C4' energy: -131.650
flat angles C4'-P-C4' energy: -131.250
flat angles P-C4'-P energy: -78.988
tors. eta vs tors. theta energy: -158.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1852.586006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.586006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.586006 (E_RNA)
where:
Base-Base interactions energy: -1271.910
where: short stacking energy: -557.056
Base-Backbone interact. energy: -4.328
local terms energy: -576.348311
where:
bonds (distance) C4'-P energy: -123.943
bonds (distance) P-C4' energy: -114.589
flat angles C4'-P-C4' energy: -122.437
flat angles P-C4'-P energy: -89.471
tors. eta vs tors. theta energy: -125.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1452.328417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.328417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.328417 (E_RNA)
where:
Base-Base interactions energy: -940.452
where: short stacking energy: -430.086
Base-Backbone interact. energy: -1.975
local terms energy: -509.900737
where:
bonds (distance) C4'-P energy: -119.269
bonds (distance) P-C4' energy: -119.641
flat angles C4'-P-C4' energy: -113.718
flat angles P-C4'-P energy: -74.918
tors. eta vs tors. theta energy: -82.355
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: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1408.288892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.288892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.288892 (E_RNA)
where:
Base-Base interactions energy: -880.287
where: short stacking energy: -402.965
Base-Backbone interact. energy: 3.427
local terms energy: -531.429033
where:
bonds (distance) C4'-P energy: -134.067
bonds (distance) P-C4' energy: -109.222
flat angles C4'-P-C4' energy: -120.248
flat angles P-C4'-P energy: -82.568
tors. eta vs tors. theta energy: -85.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -984.389450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.389450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.389450 (E_RNA)
where:
Base-Base interactions energy: -560.699
where: short stacking energy: -282.888
Base-Backbone interact. energy: 1.682
local terms energy: -425.372610
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -115.359
flat angles C4'-P-C4' energy: -103.257
flat angles P-C4'-P energy: -74.202
tors. eta vs tors. theta energy: -29.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2549.111932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.111932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.111932 (E_RNA)
where:
Base-Base interactions energy: -1796.991
where: short stacking energy: -737.016
Base-Backbone interact. energy: 0.573
local terms energy: -752.693990
where:
bonds (distance) C4'-P energy: -120.632
bonds (distance) P-C4' energy: -155.687
flat angles C4'-P-C4' energy: -155.527
flat angles P-C4'-P energy: -105.244
tors. eta vs tors. theta energy: -215.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2516.138861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.138861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.138861 (E_RNA)
where:
Base-Base interactions energy: -1786.227
where: short stacking energy: -734.529
Base-Backbone interact. energy: 0.181
local terms energy: -730.092987
where:
bonds (distance) C4'-P energy: -135.279
bonds (distance) P-C4' energy: -135.540
flat angles C4'-P-C4' energy: -158.296
flat angles P-C4'-P energy: -104.003
tors. eta vs tors. theta energy: -196.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2426.406507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.406507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.406507 (E_RNA)
where:
Base-Base interactions energy: -1728.165
where: short stacking energy: -731.705
Base-Backbone interact. energy: -3.955
local terms energy: -694.287361
where:
bonds (distance) C4'-P energy: -127.071
bonds (distance) P-C4' energy: -126.400
flat angles C4'-P-C4' energy: -143.069
flat angles P-C4'-P energy: -92.923
tors. eta vs tors. theta energy: -204.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2267.664286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.664286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.664286 (E_RNA)
where:
Base-Base interactions energy: -1568.670
where: short stacking energy: -690.232
Base-Backbone interact. energy: 0.468
local terms energy: -699.462679
where:
bonds (distance) C4'-P energy: -132.937
bonds (distance) P-C4' energy: -119.735
flat angles C4'-P-C4' energy: -147.056
flat angles P-C4'-P energy: -94.285
tors. eta vs tors. theta energy: -205.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2155.224604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.224604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.224604 (E_RNA)
where:
Base-Base interactions energy: -1512.918
where: short stacking energy: -671.300
Base-Backbone interact. energy: 0.159
local terms energy: -642.465455
where:
bonds (distance) C4'-P energy: -104.324
bonds (distance) P-C4' energy: -125.146
flat angles C4'-P-C4' energy: -136.483
flat angles P-C4'-P energy: -88.373
tors. eta vs tors. theta energy: -188.140
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -2023.467429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.467429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.467429 (E_RNA)
where:
Base-Base interactions energy: -1416.576
where: short stacking energy: -630.427
Base-Backbone interact. energy: -1.993
local terms energy: -604.899073
where:
bonds (distance) C4'-P energy: -105.603
bonds (distance) P-C4' energy: -110.454
flat angles C4'-P-C4' energy: -142.594
flat angles P-C4'-P energy: -88.701
tors. eta vs tors. theta energy: -157.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1799.151097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.151097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.151097 (E_RNA)
where:
Base-Base interactions energy: -1226.332
where: short stacking energy: -521.587
Base-Backbone interact. energy: -3.043
local terms energy: -569.775660
where:
bonds (distance) C4'-P energy: -105.003
bonds (distance) P-C4' energy: -106.028
flat angles C4'-P-C4' energy: -135.839
flat angles P-C4'-P energy: -90.226
tors. eta vs tors. theta energy: -132.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1456.020249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.020249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.020249 (E_RNA)
where:
Base-Base interactions energy: -953.792
where: short stacking energy: -430.846
Base-Backbone interact. energy: 1.593
local terms energy: -503.820562
where:
bonds (distance) C4'-P energy: -103.911
bonds (distance) P-C4' energy: -118.638
flat angles C4'-P-C4' energy: -126.056
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -82.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1344.678639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.678639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.678639 (E_RNA)
where:
Base-Base interactions energy: -849.235
where: short stacking energy: -396.009
Base-Backbone interact. energy: -0.181
local terms energy: -495.263072
where:
bonds (distance) C4'-P energy: -102.868
bonds (distance) P-C4' energy: -115.660
flat angles C4'-P-C4' energy: -139.357
flat angles P-C4'-P energy: -71.198
tors. eta vs tors. theta energy: -66.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -1041.351690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.351690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.351690 (E_RNA)
where:
Base-Base interactions energy: -616.411
where: short stacking energy: -313.276
Base-Backbone interact. energy: -1.876
local terms energy: -423.064546
where:
bonds (distance) C4'-P energy: -98.211
bonds (distance) P-C4' energy: -117.521
flat angles C4'-P-C4' energy: -114.480
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -43.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2548.870306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.870306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.870306 (E_RNA)
where:
Base-Base interactions energy: -1778.986
where: short stacking energy: -765.471
Base-Backbone interact. energy: -2.747
local terms energy: -767.137321
where:
bonds (distance) C4'-P energy: -148.534
bonds (distance) P-C4' energy: -141.373
flat angles C4'-P-C4' energy: -161.891
flat angles P-C4'-P energy: -102.328
tors. eta vs tors. theta energy: -213.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2525.337383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.337383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.337383 (E_RNA)
where:
Base-Base interactions energy: -1790.190
where: short stacking energy: -757.199
Base-Backbone interact. energy: -5.268
local terms energy: -729.879558
where:
bonds (distance) C4'-P energy: -119.750
bonds (distance) P-C4' energy: -135.822
flat angles C4'-P-C4' energy: -166.475
flat angles P-C4'-P energy: -98.323
tors. eta vs tors. theta energy: -209.509
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: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -2430.668233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.668233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.668233 (E_RNA)
where:
Base-Base interactions energy: -1701.758
where: short stacking energy: -711.891
Base-Backbone interact. energy: -3.447
local terms energy: -725.463534
where:
bonds (distance) C4'-P energy: -135.134
bonds (distance) P-C4' energy: -125.805
flat angles C4'-P-C4' energy: -160.440
flat angles P-C4'-P energy: -105.140
tors. eta vs tors. theta energy: -198.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2293.528619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.528619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.528619 (E_RNA)
where:
Base-Base interactions energy: -1613.137
where: short stacking energy: -730.406
Base-Backbone interact. energy: 0.388
local terms energy: -680.779128
where:
bonds (distance) C4'-P energy: -112.703
bonds (distance) P-C4' energy: -123.372
flat angles C4'-P-C4' energy: -159.413
flat angles P-C4'-P energy: -81.665
tors. eta vs tors. theta energy: -203.626
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: 196
Temperature: 1.100000
Total energy: -2187.885326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.885326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.885326 (E_RNA)
where:
Base-Base interactions energy: -1498.018
where: short stacking energy: -662.329
Base-Backbone interact. energy: 1.221
local terms energy: -691.088272
where:
bonds (distance) C4'-P energy: -121.589
bonds (distance) P-C4' energy: -114.571
flat angles C4'-P-C4' energy: -152.460
flat angles P-C4'-P energy: -92.286
tors. eta vs tors. theta energy: -210.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -2003.192326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.192326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.192326 (E_RNA)
where:
Base-Base interactions energy: -1400.227
where: short stacking energy: -556.063
Base-Backbone interact. energy: 0.658
local terms energy: -603.623012
where:
bonds (distance) C4'-P energy: -121.241
bonds (distance) P-C4' energy: -115.021
flat angles C4'-P-C4' energy: -128.611
flat angles P-C4'-P energy: -87.003
tors. eta vs tors. theta energy: -151.747
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: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1756.948398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.948398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.948398 (E_RNA)
where:
Base-Base interactions energy: -1201.985
where: short stacking energy: -529.274
Base-Backbone interact. energy: -3.538
local terms energy: -551.425300
where:
bonds (distance) C4'-P energy: -102.395
bonds (distance) P-C4' energy: -115.167
flat angles C4'-P-C4' energy: -116.965
flat angles P-C4'-P energy: -84.692
tors. eta vs tors. theta energy: -132.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1476.812972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.812972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.812972 (E_RNA)
where:
Base-Base interactions energy: -974.253
where: short stacking energy: -458.010
Base-Backbone interact. energy: 0.960
local terms energy: -503.520811
where:
bonds (distance) C4'-P energy: -113.769
bonds (distance) P-C4' energy: -108.613
flat angles C4'-P-C4' energy: -116.378
flat angles P-C4'-P energy: -63.904
tors. eta vs tors. theta energy: -100.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1331.556872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.556872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.556872 (E_RNA)
where:
Base-Base interactions energy: -860.519
where: short stacking energy: -385.671
Base-Backbone interact. energy: 0.270
local terms energy: -471.308579
where:
bonds (distance) C4'-P energy: -102.394
bonds (distance) P-C4' energy: -116.316
flat angles C4'-P-C4' energy: -110.694
flat angles P-C4'-P energy: -67.609
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: 10, replica: 8
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -968.571516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.571516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.571516 (E_RNA)
where:
Base-Base interactions energy: -553.823
where: short stacking energy: -317.633
Base-Backbone interact. energy: 2.084
local terms energy: -416.832278
where:
bonds (distance) C4'-P energy: -116.245
bonds (distance) P-C4' energy: -95.279
flat angles C4'-P-C4' energy: -109.231
flat angles P-C4'-P energy: -53.170
tors. eta vs tors. theta energy: -42.908
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: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2546.917524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.917524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.917524 (E_RNA)
where:
Base-Base interactions energy: -1801.535
where: short stacking energy: -753.549
Base-Backbone interact. energy: -3.287
local terms energy: -742.095588
where:
bonds (distance) C4'-P energy: -144.086
bonds (distance) P-C4' energy: -135.756
flat angles C4'-P-C4' energy: -146.209
flat angles P-C4'-P energy: -103.549
tors. eta vs tors. theta energy: -212.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2538.657532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.657532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.657532 (E_RNA)
where:
Base-Base interactions energy: -1780.478
where: short stacking energy: -752.309
Base-Backbone interact. energy: -4.945
local terms energy: -753.234229
where:
bonds (distance) C4'-P energy: -139.198
bonds (distance) P-C4' energy: -138.104
flat angles C4'-P-C4' energy: -163.368
flat angles P-C4'-P energy: -101.959
tors. eta vs tors. theta energy: -210.605
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: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2411.946452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.946452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.946452 (E_RNA)
where:
Base-Base interactions energy: -1697.837
where: short stacking energy: -705.577
Base-Backbone interact. energy: -4.846
local terms energy: -709.262949
where:
bonds (distance) C4'-P energy: -124.759
bonds (distance) P-C4' energy: -136.228
flat angles C4'-P-C4' energy: -150.104
flat angles P-C4'-P energy: -105.133
tors. eta vs tors. theta energy: -193.040
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: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2271.924500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.924500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.924500 (E_RNA)
where:
Base-Base interactions energy: -1555.554
where: short stacking energy: -672.241
Base-Backbone interact. energy: -1.500
local terms energy: -714.870805
where:
bonds (distance) C4'-P energy: -126.379
bonds (distance) P-C4' energy: -135.877
flat angles C4'-P-C4' energy: -153.409
flat angles P-C4'-P energy: -99.015
tors. eta vs tors. theta energy: -200.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2188.404715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.404715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.404715 (E_RNA)
where:
Base-Base interactions energy: -1533.386
where: short stacking energy: -652.519
Base-Backbone interact. energy: -2.248
local terms energy: -652.770563
where:
bonds (distance) C4'-P energy: -126.377
bonds (distance) P-C4' energy: -119.850
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -86.979
tors. eta vs tors. theta energy: -175.624
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: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -2077.474461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.474461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.474461 (E_RNA)
where:
Base-Base interactions energy: -1458.298
where: short stacking energy: -634.133
Base-Backbone interact. energy: -1.367
local terms energy: -617.809451
where:
bonds (distance) C4'-P energy: -121.305
bonds (distance) P-C4' energy: -122.929
flat angles C4'-P-C4' energy: -138.852
flat angles P-C4'-P energy: -84.363
tors. eta vs tors. theta energy: -150.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1734.687159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.687159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.687159 (E_RNA)
where:
Base-Base interactions energy: -1192.093
where: short stacking energy: -524.489
Base-Backbone interact. energy: -3.511
local terms energy: -539.082722
where:
bonds (distance) C4'-P energy: -116.702
bonds (distance) P-C4' energy: -97.211
flat angles C4'-P-C4' energy: -121.602
flat angles P-C4'-P energy: -85.061
tors. eta vs tors. theta energy: -118.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1448.657937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.657937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.657937 (E_RNA)
where:
Base-Base interactions energy: -948.339
where: short stacking energy: -419.708
Base-Backbone interact. energy: 6.925
local terms energy: -507.243625
where:
bonds (distance) C4'-P energy: -97.200
bonds (distance) P-C4' energy: -115.156
flat angles C4'-P-C4' energy: -128.099
flat angles P-C4'-P energy: -85.675
tors. eta vs tors. theta energy: -81.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1312.836920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.836920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.836920 (E_RNA)
where:
Base-Base interactions energy: -855.574
where: short stacking energy: -365.093
Base-Backbone interact. energy: 3.648
local terms energy: -460.910633
where:
bonds (distance) C4'-P energy: -95.135
bonds (distance) P-C4' energy: -122.326
flat angles C4'-P-C4' energy: -113.602
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -82.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -1022.697632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.697632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.697632 (E_RNA)
where:
Base-Base interactions energy: -618.839
where: short stacking energy: -299.277
Base-Backbone interact. energy: 0.422
local terms energy: -404.280522
where:
bonds (distance) C4'-P energy: -114.631
bonds (distance) P-C4' energy: -100.077
flat angles C4'-P-C4' energy: -135.110
flat angles P-C4'-P energy: -36.802
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2538.305924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.305924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.305924 (E_RNA)
where:
Base-Base interactions energy: -1771.341
where: short stacking energy: -744.242
Base-Backbone interact. energy: -3.186
local terms energy: -763.778725
where:
bonds (distance) C4'-P energy: -139.983
bonds (distance) P-C4' energy: -156.969
flat angles C4'-P-C4' energy: -168.334
flat angles P-C4'-P energy: -92.284
tors. eta vs tors. theta energy: -206.209
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: 198
Temperature: 0.950000
Total energy: -2500.242513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.242513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.242513 (E_RNA)
where:
Base-Base interactions energy: -1754.513
where: short stacking energy: -726.511
Base-Backbone interact. energy: -2.379
local terms energy: -743.350953
where:
bonds (distance) C4'-P energy: -132.453
bonds (distance) P-C4' energy: -143.165
flat angles C4'-P-C4' energy: -155.928
flat angles P-C4'-P energy: -107.371
tors. eta vs tors. theta energy: -204.434
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: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -2408.311302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.311302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.311302 (E_RNA)
where:
Base-Base interactions energy: -1694.690
where: short stacking energy: -682.745
Base-Backbone interact. energy: 0.916
local terms energy: -714.536870
where:
bonds (distance) C4'-P energy: -134.104
bonds (distance) P-C4' energy: -138.945
flat angles C4'-P-C4' energy: -149.614
flat angles P-C4'-P energy: -101.741
tors. eta vs tors. theta energy: -190.132
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2218.948458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.948458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.948458 (E_RNA)
where:
Base-Base interactions energy: -1530.532
where: short stacking energy: -683.885
Base-Backbone interact. energy: -1.177
local terms energy: -687.238827
where:
bonds (distance) C4'-P energy: -127.521
bonds (distance) P-C4' energy: -136.569
flat angles C4'-P-C4' energy: -152.063
flat angles P-C4'-P energy: -71.320
tors. eta vs tors. theta energy: -199.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2181.932561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.932561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.932561 (E_RNA)
where:
Base-Base interactions energy: -1486.861
where: short stacking energy: -656.134
Base-Backbone interact. energy: -2.228
local terms energy: -692.844116
where:
bonds (distance) C4'-P energy: -137.681
bonds (distance) P-C4' energy: -117.153
flat angles C4'-P-C4' energy: -136.315
flat angles P-C4'-P energy: -99.543
tors. eta vs tors. theta energy: -202.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -2056.772543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.772543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.772543 (E_RNA)
where:
Base-Base interactions energy: -1427.155
where: short stacking energy: -590.864
Base-Backbone interact. energy: -0.525
local terms energy: -629.092108
where:
bonds (distance) C4'-P energy: -125.273
bonds (distance) P-C4' energy: -131.911
flat angles C4'-P-C4' energy: -127.555
flat angles P-C4'-P energy: -86.344
tors. eta vs tors. theta energy: -158.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1683.315048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.315048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.315048 (E_RNA)
where:
Base-Base interactions energy: -1146.075
where: short stacking energy: -500.590
Base-Backbone interact. energy: -1.354
local terms energy: -535.885812
where:
bonds (distance) C4'-P energy: -124.264
bonds (distance) P-C4' energy: -116.178
flat angles C4'-P-C4' energy: -116.067
flat angles P-C4'-P energy: -76.374
tors. eta vs tors. theta energy: -103.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1436.787753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.787753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.787753 (E_RNA)
where:
Base-Base interactions energy: -935.224
where: short stacking energy: -439.866
Base-Backbone interact. energy: 2.069
local terms energy: -503.632862
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -133.840
flat angles C4'-P-C4' energy: -128.517
flat angles P-C4'-P energy: -53.725
tors. eta vs tors. theta energy: -81.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1403.189632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.189632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.189632 (E_RNA)
where:
Base-Base interactions energy: -920.569
where: short stacking energy: -422.607
Base-Backbone interact. energy: 1.467
local terms energy: -484.087145
where:
bonds (distance) C4'-P energy: -114.316
bonds (distance) P-C4' energy: -127.805
flat angles C4'-P-C4' energy: -100.518
flat angles P-C4'-P energy: -65.092
tors. eta vs tors. theta energy: -76.356
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: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -974.215691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.215691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.215691 (E_RNA)
where:
Base-Base interactions energy: -566.796
where: short stacking energy: -275.500
Base-Backbone interact. energy: -1.312
local terms energy: -406.107787
where:
bonds (distance) C4'-P energy: -92.798
bonds (distance) P-C4' energy: -116.077
flat angles C4'-P-C4' energy: -115.900
flat angles P-C4'-P energy: -56.456
tors. eta vs tors. theta energy: -24.877
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2534.769640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.769640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.769640 (E_RNA)
where:
Base-Base interactions energy: -1792.596
where: short stacking energy: -744.905
Base-Backbone interact. energy: -4.427
local terms energy: -737.746585
where:
bonds (distance) C4'-P energy: -125.684
bonds (distance) P-C4' energy: -144.938
flat angles C4'-P-C4' energy: -164.161
flat angles P-C4'-P energy: -98.138
tors. eta vs tors. theta energy: -204.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2494.212317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.212317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.212317 (E_RNA)
where:
Base-Base interactions energy: -1755.937
where: short stacking energy: -732.830
Base-Backbone interact. energy: 1.034
local terms energy: -739.309756
where:
bonds (distance) C4'-P energy: -129.308
bonds (distance) P-C4' energy: -141.536
flat angles C4'-P-C4' energy: -152.640
flat angles P-C4'-P energy: -101.575
tors. eta vs tors. theta energy: -214.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2396.368905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.368905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.368905 (E_RNA)
where:
Base-Base interactions energy: -1694.063
where: short stacking energy: -695.029
Base-Backbone interact. energy: -5.025
local terms energy: -697.280787
where:
bonds (distance) C4'-P energy: -132.475
bonds (distance) P-C4' energy: -127.992
flat angles C4'-P-C4' energy: -139.299
flat angles P-C4'-P energy: -106.874
tors. eta vs tors. theta energy: -190.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2287.833864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.833864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.833864 (E_RNA)
where:
Base-Base interactions energy: -1582.795
where: short stacking energy: -691.469
Base-Backbone interact. energy: -1.155
local terms energy: -703.884010
where:
bonds (distance) C4'-P energy: -116.449
bonds (distance) P-C4' energy: -145.276
flat angles C4'-P-C4' energy: -146.341
flat angles P-C4'-P energy: -89.913
tors. eta vs tors. theta energy: -205.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2191.885770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.885770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.885770 (E_RNA)
where:
Base-Base interactions energy: -1515.631
where: short stacking energy: -698.333
Base-Backbone interact. energy: -2.272
local terms energy: -673.983536
where:
bonds (distance) C4'-P energy: -115.186
bonds (distance) P-C4' energy: -110.182
flat angles C4'-P-C4' energy: -150.517
flat angles P-C4'-P energy: -91.627
tors. eta vs tors. theta energy: -206.471
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: 6
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -2047.593941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.593941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.593941 (E_RNA)
where:
Base-Base interactions energy: -1416.460
where: short stacking energy: -597.695
Base-Backbone interact. energy: -1.187
local terms energy: -629.946555
where:
bonds (distance) C4'-P energy: -115.994
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -146.106
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -154.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1725.997588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.997588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.997588 (E_RNA)
where:
Base-Base interactions energy: -1182.354
where: short stacking energy: -509.489
Base-Backbone interact. energy: 3.560
local terms energy: -547.203436
where:
bonds (distance) C4'-P energy: -108.353
bonds (distance) P-C4' energy: -105.529
flat angles C4'-P-C4' energy: -136.536
flat angles P-C4'-P energy: -76.690
tors. eta vs tors. theta energy: -120.095
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: 1
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1468.223646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.223646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.223646 (E_RNA)
where:
Base-Base interactions energy: -949.686
where: short stacking energy: -403.516
Base-Backbone interact. energy: 0.617
local terms energy: -519.154580
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -139.953
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -69.776
tors. eta vs tors. theta energy: -82.211
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: 9
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1346.975172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.975172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.975172 (E_RNA)
where:
Base-Base interactions energy: -875.695
where: short stacking energy: -372.253
Base-Backbone interact. energy: -2.633
local terms energy: -468.647394
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -126.582
flat angles C4'-P-C4' energy: -117.172
flat angles P-C4'-P energy: -63.636
tors. eta vs tors. theta energy: -58.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -976.505906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.505906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.505906 (E_RNA)
where:
Base-Base interactions energy: -579.677
where: short stacking energy: -276.033
Base-Backbone interact. energy: -1.295
local terms energy: -395.533788
where:
bonds (distance) C4'-P energy: -106.743
bonds (distance) P-C4' energy: -116.124
flat angles C4'-P-C4' energy: -99.234
flat angles P-C4'-P energy: -52.851
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2529.254325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.254325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.254325 (E_RNA)
where:
Base-Base interactions energy: -1788.384
where: short stacking energy: -737.700
Base-Backbone interact. energy: -3.939
local terms energy: -736.931476
where:
bonds (distance) C4'-P energy: -139.153
bonds (distance) P-C4' energy: -134.749
flat angles C4'-P-C4' energy: -157.996
flat angles P-C4'-P energy: -108.717
tors. eta vs tors. theta energy: -196.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2482.287242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.287242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.287242 (E_RNA)
where:
Base-Base interactions energy: -1745.616
where: short stacking energy: -740.442
Base-Backbone interact. energy: -1.035
local terms energy: -735.635902
where:
bonds (distance) C4'-P energy: -124.507
bonds (distance) P-C4' energy: -147.788
flat angles C4'-P-C4' energy: -157.985
flat angles P-C4'-P energy: -107.071
tors. eta vs tors. theta energy: -198.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2418.639298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.639298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.639298 (E_RNA)
where:
Base-Base interactions energy: -1716.921
where: short stacking energy: -702.205
Base-Backbone interact. energy: -0.439
local terms energy: -701.279169
where:
bonds (distance) C4'-P energy: -130.884
bonds (distance) P-C4' energy: -128.912
flat angles C4'-P-C4' energy: -149.714
flat angles P-C4'-P energy: -94.680
tors. eta vs tors. theta energy: -197.089
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: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2306.382138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.382138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.382138 (E_RNA)
where:
Base-Base interactions energy: -1580.793
where: short stacking energy: -693.953
Base-Backbone interact. energy: -1.504
local terms energy: -724.084578
where:
bonds (distance) C4'-P energy: -135.965
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -151.497
flat angles P-C4'-P energy: -98.603
tors. eta vs tors. theta energy: -207.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2207.138574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.138574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.138574 (E_RNA)
where:
Base-Base interactions energy: -1540.312
where: short stacking energy: -686.156
Base-Backbone interact. energy: -4.042
local terms energy: -662.784065
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -124.433
flat angles C4'-P-C4' energy: -144.578
flat angles P-C4'-P energy: -82.054
tors. eta vs tors. theta energy: -206.143
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: 6, replica: 6
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -2074.554462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.554462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.554462 (E_RNA)
where:
Base-Base interactions energy: -1457.586
where: short stacking energy: -620.162
Base-Backbone interact. energy: -3.385
local terms energy: -613.583252
where:
bonds (distance) C4'-P energy: -106.645
bonds (distance) P-C4' energy: -118.467
flat angles C4'-P-C4' energy: -138.702
flat angles P-C4'-P energy: -98.249
tors. eta vs tors. theta energy: -151.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1726.573059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.573059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.573059 (E_RNA)
where:
Base-Base interactions energy: -1173.074
where: short stacking energy: -525.343
Base-Backbone interact. energy: -0.465
local terms energy: -553.034303
where:
bonds (distance) C4'-P energy: -106.880
bonds (distance) P-C4' energy: -125.820
flat angles C4'-P-C4' energy: -122.199
flat angles P-C4'-P energy: -84.472
tors. eta vs tors. theta energy: -113.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1432.130210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.130210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.130210 (E_RNA)
where:
Base-Base interactions energy: -930.076
where: short stacking energy: -443.649
Base-Backbone interact. energy: -3.585
local terms energy: -498.469063
where:
bonds (distance) C4'-P energy: -102.712
bonds (distance) P-C4' energy: -106.861
flat angles C4'-P-C4' energy: -126.929
flat angles P-C4'-P energy: -75.783
tors. eta vs tors. theta energy: -86.185
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: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1355.653777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.653777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.653777 (E_RNA)
where:
Base-Base interactions energy: -877.623
where: short stacking energy: -417.370
Base-Backbone interact. energy: 3.998
local terms energy: -482.029119
where:
bonds (distance) C4'-P energy: -102.865
bonds (distance) P-C4' energy: -116.594
flat angles C4'-P-C4' energy: -120.091
flat angles P-C4'-P energy: -74.024
tors. eta vs tors. theta energy: -68.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -999.266468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.266468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.266468 (E_RNA)
where:
Base-Base interactions energy: -585.710
where: short stacking energy: -297.292
Base-Backbone interact. energy: -3.121
local terms energy: -410.435413
where:
bonds (distance) C4'-P energy: -99.491
bonds (distance) P-C4' energy: -116.663
flat angles C4'-P-C4' energy: -98.931
flat angles P-C4'-P energy: -61.628
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2550.765784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.765784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.765784 (E_RNA)
where:
Base-Base interactions energy: -1815.032
where: short stacking energy: -748.035
Base-Backbone interact. energy: -5.289
local terms energy: -730.444181
where:
bonds (distance) C4'-P energy: -132.323
bonds (distance) P-C4' energy: -148.445
flat angles C4'-P-C4' energy: -152.630
flat angles P-C4'-P energy: -90.324
tors. eta vs tors. theta energy: -206.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2494.152006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.152006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.152006 (E_RNA)
where:
Base-Base interactions energy: -1744.399
where: short stacking energy: -733.568
Base-Backbone interact. energy: -0.939
local terms energy: -748.814319
where:
bonds (distance) C4'-P energy: -136.077
bonds (distance) P-C4' energy: -135.345
flat angles C4'-P-C4' energy: -155.803
flat angles P-C4'-P energy: -114.915
tors. eta vs tors. theta energy: -206.674
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: 2
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2445.893538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.893538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.893538 (E_RNA)
where:
Base-Base interactions energy: -1741.172
where: short stacking energy: -685.400
Base-Backbone interact. energy: -1.421
local terms energy: -703.300438
where:
bonds (distance) C4'-P energy: -125.442
bonds (distance) P-C4' energy: -133.663
flat angles C4'-P-C4' energy: -147.937
flat angles P-C4'-P energy: -104.338
tors. eta vs tors. theta energy: -191.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2262.259133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.259133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.259133 (E_RNA)
where:
Base-Base interactions energy: -1544.574
where: short stacking energy: -692.076
Base-Backbone interact. energy: 1.484
local terms energy: -719.169143
where:
bonds (distance) C4'-P energy: -140.815
bonds (distance) P-C4' energy: -121.962
flat angles C4'-P-C4' energy: -149.678
flat angles P-C4'-P energy: -95.135
tors. eta vs tors. theta energy: -211.579
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: 5
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -2171.170643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.170643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.170643 (E_RNA)
where:
Base-Base interactions energy: -1500.418
where: short stacking energy: -688.209
Base-Backbone interact. energy: 1.680
local terms energy: -672.432141
where:
bonds (distance) C4'-P energy: -126.182
bonds (distance) P-C4' energy: -108.533
flat angles C4'-P-C4' energy: -152.220
flat angles P-C4'-P energy: -85.159
tors. eta vs tors. theta energy: -200.339
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: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -2094.563166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.563166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.563166 (E_RNA)
where:
Base-Base interactions energy: -1490.724
where: short stacking energy: -639.497
Base-Backbone interact. energy: -2.464
local terms energy: -601.374722
where:
bonds (distance) C4'-P energy: -119.418
bonds (distance) P-C4' energy: -105.252
flat angles C4'-P-C4' energy: -131.222
flat angles P-C4'-P energy: -69.630
tors. eta vs tors. theta energy: -175.853
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: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1794.658487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.658487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.658487 (E_RNA)
where:
Base-Base interactions energy: -1239.815
where: short stacking energy: -544.797
Base-Backbone interact. energy: -1.898
local terms energy: -552.945380
where:
bonds (distance) C4'-P energy: -114.407
bonds (distance) P-C4' energy: -120.711
flat angles C4'-P-C4' energy: -124.813
flat angles P-C4'-P energy: -60.642
tors. eta vs tors. theta energy: -132.372
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1456.506386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.506386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.506386 (E_RNA)
where:
Base-Base interactions energy: -950.661
where: short stacking energy: -422.524
Base-Backbone interact. energy: -0.706
local terms energy: -505.140152
where:
bonds (distance) C4'-P energy: -111.980
bonds (distance) P-C4' energy: -129.442
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -76.388
tors. eta vs tors. theta energy: -83.702
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: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1345.471490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.471490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.471490 (E_RNA)
where:
Base-Base interactions energy: -886.859
where: short stacking energy: -389.160
Base-Backbone interact. energy: 0.790
local terms energy: -459.402184
where:
bonds (distance) C4'-P energy: -104.174
bonds (distance) P-C4' energy: -109.056
flat angles C4'-P-C4' energy: -113.209
flat angles P-C4'-P energy: -74.130
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: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -988.146513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.146513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.146513 (E_RNA)
where:
Base-Base interactions energy: -603.297
where: short stacking energy: -303.608
Base-Backbone interact. energy: 3.011
local terms energy: -387.860970
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -108.946
flat angles C4'-P-C4' energy: -84.879
flat angles P-C4'-P energy: -58.750
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2557.018946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.018946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.018946 (E_RNA)
where:
Base-Base interactions energy: -1791.389
where: short stacking energy: -746.267
Base-Backbone interact. energy: -1.626
local terms energy: -764.004041
where:
bonds (distance) C4'-P energy: -132.016
bonds (distance) P-C4' energy: -144.223
flat angles C4'-P-C4' energy: -166.184
flat angles P-C4'-P energy: -117.402
tors. eta vs tors. theta energy: -204.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2466.589303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.589303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.589303 (E_RNA)
where:
Base-Base interactions energy: -1755.061
where: short stacking energy: -731.237
Base-Backbone interact. energy: 2.353
local terms energy: -713.881448
where:
bonds (distance) C4'-P energy: -142.688
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -154.480
flat angles P-C4'-P energy: -98.012
tors. eta vs tors. theta energy: -198.016
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: 2
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2417.215745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.215745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.215745 (E_RNA)
where:
Base-Base interactions energy: -1715.848
where: short stacking energy: -701.427
Base-Backbone interact. energy: 0.635
local terms energy: -702.002638
where:
bonds (distance) C4'-P energy: -135.304
bonds (distance) P-C4' energy: -114.664
flat angles C4'-P-C4' energy: -157.986
flat angles P-C4'-P energy: -94.563
tors. eta vs tors. theta energy: -199.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2274.544785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.544785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.544785 (E_RNA)
where:
Base-Base interactions energy: -1575.645
where: short stacking energy: -705.510
Base-Backbone interact. energy: -0.439
local terms energy: -698.460552
where:
bonds (distance) C4'-P energy: -122.596
bonds (distance) P-C4' energy: -139.925
flat angles C4'-P-C4' energy: -149.512
flat angles P-C4'-P energy: -82.828
tors. eta vs tors. theta energy: -203.600
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: 5
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -2166.756383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.756383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.756383 (E_RNA)
where:
Base-Base interactions energy: -1465.279
where: short stacking energy: -662.993
Base-Backbone interact. energy: -1.951
local terms energy: -699.527211
where:
bonds (distance) C4'-P energy: -138.266
bonds (distance) P-C4' energy: -120.314
flat angles C4'-P-C4' energy: -153.144
flat angles P-C4'-P energy: -95.162
tors. eta vs tors. theta energy: -192.642
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: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -2039.528660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.528660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.528660 (E_RNA)
where:
Base-Base interactions energy: -1430.388
where: short stacking energy: -590.851
Base-Backbone interact. energy: -2.286
local terms energy: -606.854222
where:
bonds (distance) C4'-P energy: -118.451
bonds (distance) P-C4' energy: -123.083
flat angles C4'-P-C4' energy: -130.142
flat angles P-C4'-P energy: -87.144
tors. eta vs tors. theta energy: -148.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1759.493128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.493128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.493128 (E_RNA)
where:
Base-Base interactions energy: -1186.895
where: short stacking energy: -522.535
Base-Backbone interact. energy: -2.628
local terms energy: -569.969874
where:
bonds (distance) C4'-P energy: -121.457
bonds (distance) P-C4' energy: -103.431
flat angles C4'-P-C4' energy: -135.567
flat angles P-C4'-P energy: -65.192
tors. eta vs tors. theta energy: -144.322
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1459.257184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.257184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.257184 (E_RNA)
where:
Base-Base interactions energy: -957.285
where: short stacking energy: -407.157
Base-Backbone interact. energy: 7.587
local terms energy: -509.559387
where:
bonds (distance) C4'-P energy: -106.311
bonds (distance) P-C4' energy: -120.317
flat angles C4'-P-C4' energy: -124.214
flat angles P-C4'-P energy: -73.824
tors. eta vs tors. theta energy: -84.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1328.052358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.052358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.052358 (E_RNA)
where:
Base-Base interactions energy: -884.861
where: short stacking energy: -387.315
Base-Backbone interact. energy: -0.962
local terms energy: -442.229171
where:
bonds (distance) C4'-P energy: -109.908
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -115.744
flat angles P-C4'-P energy: -68.369
tors. eta vs tors. theta energy: -55.023
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: 8
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -909.132252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.132252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.132252 (E_RNA)
where:
Base-Base interactions energy: -519.565
where: short stacking energy: -269.732
Base-Backbone interact. energy: -2.024
local terms energy: -387.543001
where:
bonds (distance) C4'-P energy: -116.487
bonds (distance) P-C4' energy: -107.007
flat angles C4'-P-C4' energy: -90.590
flat angles P-C4'-P energy: -54.797
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: 3
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2533.754882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.754882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.754882 (E_RNA)
where:
Base-Base interactions energy: -1791.773
where: short stacking energy: -757.489
Base-Backbone interact. energy: -4.592
local terms energy: -737.389512
where:
bonds (distance) C4'-P energy: -139.898
bonds (distance) P-C4' energy: -133.891
flat angles C4'-P-C4' energy: -153.263
flat angles P-C4'-P energy: -102.730
tors. eta vs tors. theta energy: -207.609
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2490.227886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.227886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.227886 (E_RNA)
where:
Base-Base interactions energy: -1746.527
where: short stacking energy: -712.184
Base-Backbone interact. energy: 2.940
local terms energy: -746.640400
where:
bonds (distance) C4'-P energy: -136.638
bonds (distance) P-C4' energy: -148.533
flat angles C4'-P-C4' energy: -149.876
flat angles P-C4'-P energy: -116.235
tors. eta vs tors. theta energy: -195.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2425.393219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.393219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.393219 (E_RNA)
where:
Base-Base interactions energy: -1721.178
where: short stacking energy: -718.557
Base-Backbone interact. energy: -4.912
local terms energy: -699.303528
where:
bonds (distance) C4'-P energy: -124.294
bonds (distance) P-C4' energy: -126.026
flat angles C4'-P-C4' energy: -143.793
flat angles P-C4'-P energy: -97.565
tors. eta vs tors. theta energy: -207.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2245.725324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.725324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.725324 (E_RNA)
where:
Base-Base interactions energy: -1563.333
where: short stacking energy: -682.949
Base-Backbone interact. energy: 0.672
local terms energy: -683.064195
where:
bonds (distance) C4'-P energy: -122.700
bonds (distance) P-C4' energy: -126.189
flat angles C4'-P-C4' energy: -130.917
flat angles P-C4'-P energy: -97.618
tors. eta vs tors. theta energy: -205.639
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: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -2188.319836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.319836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.319836 (E_RNA)
where:
Base-Base interactions energy: -1501.734
where: short stacking energy: -652.527
Base-Backbone interact. energy: -0.949
local terms energy: -685.637462
where:
bonds (distance) C4'-P energy: -118.154
bonds (distance) P-C4' energy: -134.329
flat angles C4'-P-C4' energy: -152.058
flat angles P-C4'-P energy: -91.827
tors. eta vs tors. theta energy: -189.269
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: 6, replica: 6
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -2067.000596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.000596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.000596 (E_RNA)
where:
Base-Base interactions energy: -1453.915
where: short stacking energy: -597.131
Base-Backbone interact. energy: 1.284
local terms energy: -614.370098
where:
bonds (distance) C4'-P energy: -107.072
bonds (distance) P-C4' energy: -131.949
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -92.838
tors. eta vs tors. theta energy: -151.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1725.048529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.048529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.048529 (E_RNA)
where:
Base-Base interactions energy: -1161.049
where: short stacking energy: -480.674
Base-Backbone interact. energy: -4.172
local terms energy: -559.827492
where:
bonds (distance) C4'-P energy: -125.300
bonds (distance) P-C4' energy: -112.325
flat angles C4'-P-C4' energy: -131.401
flat angles P-C4'-P energy: -81.484
tors. eta vs tors. theta energy: -109.316
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1443.572796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.572796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.572796 (E_RNA)
where:
Base-Base interactions energy: -947.138
where: short stacking energy: -409.341
Base-Backbone interact. energy: 0.435
local terms energy: -496.869208
where:
bonds (distance) C4'-P energy: -119.334
bonds (distance) P-C4' energy: -111.449
flat angles C4'-P-C4' energy: -116.814
flat angles P-C4'-P energy: -55.390
tors. eta vs tors. theta energy: -93.883
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: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1356.229670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.229670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.229670 (E_RNA)
where:
Base-Base interactions energy: -883.052
where: short stacking energy: -410.073
Base-Backbone interact. energy: 4.073
local terms energy: -477.251228
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -127.167
flat angles C4'-P-C4' energy: -129.661
flat angles P-C4'-P energy: -66.071
tors. eta vs tors. theta energy: -61.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -955.919952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.919952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.919952 (E_RNA)
where:
Base-Base interactions energy: -557.882
where: short stacking energy: -324.127
Base-Backbone interact. energy: -1.977
local terms energy: -396.061109
where:
bonds (distance) C4'-P energy: -97.403
bonds (distance) P-C4' energy: -93.263
flat angles C4'-P-C4' energy: -106.155
flat angles P-C4'-P energy: -54.959
tors. eta vs tors. theta energy: -44.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2540.948849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.948849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.948849 (E_RNA)
where:
Base-Base interactions energy: -1783.372
where: short stacking energy: -735.524
Base-Backbone interact. energy: 3.659
local terms energy: -761.235572
where:
bonds (distance) C4'-P energy: -144.875
bonds (distance) P-C4' energy: -147.224
flat angles C4'-P-C4' energy: -164.874
flat angles P-C4'-P energy: -97.179
tors. eta vs tors. theta energy: -207.083
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: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2454.098088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.098088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.098088 (E_RNA)
where:
Base-Base interactions energy: -1739.534
where: short stacking energy: -732.501
Base-Backbone interact. energy: -4.690
local terms energy: -709.874614
where:
bonds (distance) C4'-P energy: -124.065
bonds (distance) P-C4' energy: -136.066
flat angles C4'-P-C4' energy: -159.749
flat angles P-C4'-P energy: -101.745
tors. eta vs tors. theta energy: -188.249
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: 3, replica: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2444.908495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.908495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.908495 (E_RNA)
where:
Base-Base interactions energy: -1725.348
where: short stacking energy: -713.894
Base-Backbone interact. energy: -3.032
local terms energy: -716.528118
where:
bonds (distance) C4'-P energy: -124.129
bonds (distance) P-C4' energy: -140.657
flat angles C4'-P-C4' energy: -145.805
flat angles P-C4'-P energy: -102.733
tors. eta vs tors. theta energy: -203.204
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: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2256.518075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.518075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.518075 (E_RNA)
where:
Base-Base interactions energy: -1554.485
where: short stacking energy: -710.398
Base-Backbone interact. energy: 1.836
local terms energy: -703.869372
where:
bonds (distance) C4'-P energy: -124.733
bonds (distance) P-C4' energy: -133.318
flat angles C4'-P-C4' energy: -148.188
flat angles P-C4'-P energy: -104.187
tors. eta vs tors. theta energy: -193.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -2141.162698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.162698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.162698 (E_RNA)
where:
Base-Base interactions energy: -1459.449
where: short stacking energy: -663.713
Base-Backbone interact. energy: -2.233
local terms energy: -679.480491
where:
bonds (distance) C4'-P energy: -126.078
bonds (distance) P-C4' energy: -126.177
flat angles C4'-P-C4' energy: -144.316
flat angles P-C4'-P energy: -91.967
tors. eta vs tors. theta energy: -190.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -2078.913114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.913114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.913114 (E_RNA)
where:
Base-Base interactions energy: -1454.324
where: short stacking energy: -621.443
Base-Backbone interact. energy: -1.327
local terms energy: -623.261802
where:
bonds (distance) C4'-P energy: -102.326
bonds (distance) P-C4' energy: -123.786
flat angles C4'-P-C4' energy: -147.801
flat angles P-C4'-P energy: -89.310
tors. eta vs tors. theta energy: -160.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1624.687445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.687445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.687445 (E_RNA)
where:
Base-Base interactions energy: -1082.425
where: short stacking energy: -478.594
Base-Backbone interact. energy: -0.027
local terms energy: -542.235072
where:
bonds (distance) C4'-P energy: -120.466
bonds (distance) P-C4' energy: -128.394
flat angles C4'-P-C4' energy: -129.218
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -115.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1425.829885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.829885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.829885 (E_RNA)
where:
Base-Base interactions energy: -919.718
where: short stacking energy: -430.956
Base-Backbone interact. energy: 1.297
local terms energy: -507.409069
where:
bonds (distance) C4'-P energy: -111.804
bonds (distance) P-C4' energy: -134.434
flat angles C4'-P-C4' energy: -113.687
flat angles P-C4'-P energy: -50.979
tors. eta vs tors. theta energy: -96.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1322.613796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.613796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.613796 (E_RNA)
where:
Base-Base interactions energy: -851.710
where: short stacking energy: -393.159
Base-Backbone interact. energy: -2.564
local terms energy: -468.339469
where:
bonds (distance) C4'-P energy: -116.031
bonds (distance) P-C4' energy: -114.866
flat angles C4'-P-C4' energy: -99.908
flat angles P-C4'-P energy: -58.877
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: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -910.933093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.933093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.933093 (E_RNA)
where:
Base-Base interactions energy: -518.952
where: short stacking energy: -292.939
Base-Backbone interact. energy: 10.018
local terms energy: -401.999390
where:
bonds (distance) C4'-P energy: -110.632
bonds (distance) P-C4' energy: -115.731
flat angles C4'-P-C4' energy: -102.268
flat angles P-C4'-P energy: -52.083
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2565.969909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.969909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.969909 (E_RNA)
where:
Base-Base interactions energy: -1820.413
where: short stacking energy: -774.177
Base-Backbone interact. energy: -1.130
local terms energy: -744.427356
where:
bonds (distance) C4'-P energy: -147.309
bonds (distance) P-C4' energy: -121.482
flat angles C4'-P-C4' energy: -170.751
flat angles P-C4'-P energy: -92.308
tors. eta vs tors. theta energy: -212.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2493.633429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.633429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.633429 (E_RNA)
where:
Base-Base interactions energy: -1754.403
where: short stacking energy: -747.198
Base-Backbone interact. energy: -4.421
local terms energy: -734.809941
where:
bonds (distance) C4'-P energy: -121.185
bonds (distance) P-C4' energy: -148.612
flat angles C4'-P-C4' energy: -162.431
flat angles P-C4'-P energy: -103.657
tors. eta vs tors. theta energy: -198.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -2392.592353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.592353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.592353 (E_RNA)
where:
Base-Base interactions energy: -1685.622
where: short stacking energy: -710.662
Base-Backbone interact. energy: -4.795
local terms energy: -702.175671
where:
bonds (distance) C4'-P energy: -124.855
bonds (distance) P-C4' energy: -126.964
flat angles C4'-P-C4' energy: -153.532
flat angles P-C4'-P energy: -106.965
tors. eta vs tors. theta energy: -189.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -2244.968926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.968926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.968926 (E_RNA)
where:
Base-Base interactions energy: -1568.816
where: short stacking energy: -711.728
Base-Backbone interact. energy: -0.775
local terms energy: -675.377784
where:
bonds (distance) C4'-P energy: -117.786
bonds (distance) P-C4' energy: -124.338
flat angles C4'-P-C4' energy: -135.350
flat angles P-C4'-P energy: -96.552
tors. eta vs tors. theta energy: -201.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -2132.594533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.594533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.594533 (E_RNA)
where:
Base-Base interactions energy: -1467.374
where: short stacking energy: -652.010
Base-Backbone interact. energy: 0.324
local terms energy: -665.544310
where:
bonds (distance) C4'-P energy: -117.384
bonds (distance) P-C4' energy: -123.735
flat angles C4'-P-C4' energy: -152.499
flat angles P-C4'-P energy: -99.850
tors. eta vs tors. theta energy: -172.076
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: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -2108.881215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.881215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.881215 (E_RNA)
where:
Base-Base interactions energy: -1485.474
where: short stacking energy: -641.453
Base-Backbone interact. energy: 0.388
local terms energy: -623.794963
where:
bonds (distance) C4'-P energy: -116.704
bonds (distance) P-C4' energy: -113.439
flat angles C4'-P-C4' energy: -134.629
flat angles P-C4'-P energy: -81.366
tors. eta vs tors. theta energy: -177.656
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: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1676.897689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.897689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.897689 (E_RNA)
where:
Base-Base interactions energy: -1092.398
where: short stacking energy: -511.639
Base-Backbone interact. energy: -0.051
local terms energy: -584.448744
where:
bonds (distance) C4'-P energy: -116.004
bonds (distance) P-C4' energy: -124.737
flat angles C4'-P-C4' energy: -128.943
flat angles P-C4'-P energy: -80.970
tors. eta vs tors. theta energy: -133.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1468.628517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.628517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.628517 (E_RNA)
where:
Base-Base interactions energy: -971.698
where: short stacking energy: -453.314
Base-Backbone interact. energy: 0.492
local terms energy: -497.422343
where:
bonds (distance) C4'-P energy: -106.485
bonds (distance) P-C4' energy: -126.481
flat angles C4'-P-C4' energy: -111.400
flat angles P-C4'-P energy: -62.393
tors. eta vs tors. theta energy: -90.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1282.312670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.312670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.312670 (E_RNA)
where:
Base-Base interactions energy: -849.829
where: short stacking energy: -402.080
Base-Backbone interact. energy: 0.748
local terms energy: -433.231857
where:
bonds (distance) C4'-P energy: -83.773
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -99.691
flat angles P-C4'-P energy: -79.569
tors. eta vs tors. theta energy: -59.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -883.367182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.367182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.367182 (E_RNA)
where:
Base-Base interactions energy: -479.381
where: short stacking energy: -294.214
Base-Backbone interact. energy: 0.429
local terms energy: -404.415818
where:
bonds (distance) C4'-P energy: -101.676
bonds (distance) P-C4' energy: -104.617
flat angles C4'-P-C4' energy: -121.437
flat angles P-C4'-P energy: -52.050
tors. eta vs tors. theta energy: -24.636
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: 206
Temperature: 0.900000
Total energy: -2527.676676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.676676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.676676 (E_RNA)
where:
Base-Base interactions energy: -1779.279
where: short stacking energy: -752.069
Base-Backbone interact. energy: -5.728
local terms energy: -742.669594
where:
bonds (distance) C4'-P energy: -122.780
bonds (distance) P-C4' energy: -138.276
flat angles C4'-P-C4' energy: -150.799
flat angles P-C4'-P energy: -121.492
tors. eta vs tors. theta energy: -209.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2516.914748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.914748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.914748 (E_RNA)
where:
Base-Base interactions energy: -1783.718
where: short stacking energy: -742.662
Base-Backbone interact. energy: -1.615
local terms energy: -731.581883
where:
bonds (distance) C4'-P energy: -149.658
bonds (distance) P-C4' energy: -130.653
flat angles C4'-P-C4' energy: -156.129
flat angles P-C4'-P energy: -87.601
tors. eta vs tors. theta energy: -207.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2361.743251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.743251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.743251 (E_RNA)
where:
Base-Base interactions energy: -1662.887
where: short stacking energy: -682.587
Base-Backbone interact. energy: -2.708
local terms energy: -696.148391
where:
bonds (distance) C4'-P energy: -127.582
bonds (distance) P-C4' energy: -128.964
flat angles C4'-P-C4' energy: -147.388
flat angles P-C4'-P energy: -102.844
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: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2234.340305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.340305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.340305 (E_RNA)
where:
Base-Base interactions energy: -1536.665
where: short stacking energy: -676.347
Base-Backbone interact. energy: -2.039
local terms energy: -695.636198
where:
bonds (distance) C4'-P energy: -132.093
bonds (distance) P-C4' energy: -134.670
flat angles C4'-P-C4' energy: -153.639
flat angles P-C4'-P energy: -87.138
tors. eta vs tors. theta energy: -188.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2188.460935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.460935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.460935 (E_RNA)
where:
Base-Base interactions energy: -1514.741
where: short stacking energy: -660.906
Base-Backbone interact. energy: -5.158
local terms energy: -668.562230
where:
bonds (distance) C4'-P energy: -109.063
bonds (distance) P-C4' energy: -133.293
flat angles C4'-P-C4' energy: -146.027
flat angles P-C4'-P energy: -96.878
tors. eta vs tors. theta energy: -183.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -2063.343692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.343692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.343692 (E_RNA)
where:
Base-Base interactions energy: -1430.853
where: short stacking energy: -635.851
Base-Backbone interact. energy: -0.735
local terms energy: -631.755786
where:
bonds (distance) C4'-P energy: -124.855
bonds (distance) P-C4' energy: -115.310
flat angles C4'-P-C4' energy: -144.237
flat angles P-C4'-P energy: -70.174
tors. eta vs tors. theta energy: -177.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1681.040648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.040648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.040648 (E_RNA)
where:
Base-Base interactions energy: -1108.486
where: short stacking energy: -527.325
Base-Backbone interact. energy: 0.381
local terms energy: -572.935500
where:
bonds (distance) C4'-P energy: -101.274
bonds (distance) P-C4' energy: -126.132
flat angles C4'-P-C4' energy: -128.318
flat angles P-C4'-P energy: -86.850
tors. eta vs tors. theta energy: -130.361
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: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1491.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.619252 (E_RNA)
where:
Base-Base interactions energy: -968.015
where: short stacking energy: -450.645
Base-Backbone interact. energy: -5.666
local terms energy: -517.938193
where:
bonds (distance) C4'-P energy: -104.901
bonds (distance) P-C4' energy: -122.081
flat angles C4'-P-C4' energy: -116.060
flat angles P-C4'-P energy: -88.320
tors. eta vs tors. theta energy: -86.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1374.910458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.910458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.910458 (E_RNA)
where:
Base-Base interactions energy: -895.711
where: short stacking energy: -400.914
Base-Backbone interact. energy: -3.105
local terms energy: -476.094398
where:
bonds (distance) C4'-P energy: -117.986
bonds (distance) P-C4' energy: -109.259
flat angles C4'-P-C4' energy: -103.725
flat angles P-C4'-P energy: -68.074
tors. eta vs tors. theta energy: -77.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -891.238184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.238184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.238184 (E_RNA)
where:
Base-Base interactions energy: -501.077
where: short stacking energy: -261.401
Base-Backbone interact. energy: -0.417
local terms energy: -389.744158
where:
bonds (distance) C4'-P energy: -106.340
bonds (distance) P-C4' energy: -107.264
flat angles C4'-P-C4' energy: -90.737
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2531.529643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.529643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.529643 (E_RNA)
where:
Base-Base interactions energy: -1793.272
where: short stacking energy: -730.724
Base-Backbone interact. energy: 1.533
local terms energy: -739.790983
where:
bonds (distance) C4'-P energy: -134.650
bonds (distance) P-C4' energy: -141.738
flat angles C4'-P-C4' energy: -157.532
flat angles P-C4'-P energy: -104.888
tors. eta vs tors. theta energy: -200.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2495.430631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.430631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.430631 (E_RNA)
where:
Base-Base interactions energy: -1744.643
where: short stacking energy: -726.071
Base-Backbone interact. energy: -5.678
local terms energy: -745.109600
where:
bonds (distance) C4'-P energy: -139.442
bonds (distance) P-C4' energy: -149.096
flat angles C4'-P-C4' energy: -158.723
flat angles P-C4'-P energy: -93.815
tors. eta vs tors. theta energy: -204.034
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: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2394.142517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.142517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.142517 (E_RNA)
where:
Base-Base interactions energy: -1698.757
where: short stacking energy: -695.160
Base-Backbone interact. energy: -1.814
local terms energy: -693.570745
where:
bonds (distance) C4'-P energy: -128.912
bonds (distance) P-C4' energy: -133.414
flat angles C4'-P-C4' energy: -154.027
flat angles P-C4'-P energy: -85.484
tors. eta vs tors. theta energy: -191.734
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: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2234.831427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.831427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.831427 (E_RNA)
where:
Base-Base interactions energy: -1546.865
where: short stacking energy: -663.923
Base-Backbone interact. energy: -2.549
local terms energy: -685.417204
where:
bonds (distance) C4'-P energy: -136.107
bonds (distance) P-C4' energy: -132.356
flat angles C4'-P-C4' energy: -137.828
flat angles P-C4'-P energy: -88.733
tors. eta vs tors. theta energy: -190.393
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: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -2206.434569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.434569 (E_RNA)
where:
Base-Base interactions energy: -1536.820
where: short stacking energy: -658.061
Base-Backbone interact. energy: 4.339
local terms energy: -673.953471
where:
bonds (distance) C4'-P energy: -125.620
bonds (distance) P-C4' energy: -122.352
flat angles C4'-P-C4' energy: -147.421
flat angles P-C4'-P energy: -94.784
tors. eta vs tors. theta energy: -183.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -2078.027044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.027044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.027044 (E_RNA)
where:
Base-Base interactions energy: -1439.191
where: short stacking energy: -660.739
Base-Backbone interact. energy: 3.393
local terms energy: -642.229978
where:
bonds (distance) C4'-P energy: -114.685
bonds (distance) P-C4' energy: -114.987
flat angles C4'-P-C4' energy: -142.386
flat angles P-C4'-P energy: -88.941
tors. eta vs tors. theta energy: -181.231
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: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1627.408600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.408600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.408600 (E_RNA)
where:
Base-Base interactions energy: -1089.352
where: short stacking energy: -498.430
Base-Backbone interact. energy: -1.929
local terms energy: -536.126959
where:
bonds (distance) C4'-P energy: -119.794
bonds (distance) P-C4' energy: -119.014
flat angles C4'-P-C4' energy: -104.862
flat angles P-C4'-P energy: -73.419
tors. eta vs tors. theta energy: -119.038
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1565.513292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.513292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.513292 (E_RNA)
where:
Base-Base interactions energy: -1048.527
where: short stacking energy: -462.756
Base-Backbone interact. energy: -1.696
local terms energy: -515.291039
where:
bonds (distance) C4'-P energy: -119.176
bonds (distance) P-C4' energy: -127.805
flat angles C4'-P-C4' energy: -121.585
flat angles P-C4'-P energy: -63.659
tors. eta vs tors. theta energy: -83.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1354.641099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.641099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.641099 (E_RNA)
where:
Base-Base interactions energy: -900.514
where: short stacking energy: -385.872
Base-Backbone interact. energy: -0.981
local terms energy: -453.145571
where:
bonds (distance) C4'-P energy: -112.156
bonds (distance) P-C4' energy: -111.719
flat angles C4'-P-C4' energy: -103.919
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -51.391
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: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -930.447320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.447320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.447320 (E_RNA)
where:
Base-Base interactions energy: -542.608
where: short stacking energy: -297.426
Base-Backbone interact. energy: 0.990
local terms energy: -388.829039
where:
bonds (distance) C4'-P energy: -79.614
bonds (distance) P-C4' energy: -134.699
flat angles C4'-P-C4' energy: -98.239
flat angles P-C4'-P energy: -46.175
tors. eta vs tors. theta energy: -30.101
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: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2552.086244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.086244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.086244 (E_RNA)
where:
Base-Base interactions energy: -1802.481
where: short stacking energy: -740.502
Base-Backbone interact. energy: -3.472
local terms energy: -746.133869
where:
bonds (distance) C4'-P energy: -126.341
bonds (distance) P-C4' energy: -145.907
flat angles C4'-P-C4' energy: -157.185
flat angles P-C4'-P energy: -99.434
tors. eta vs tors. theta energy: -217.266
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: 208
Temperature: 0.950000
Total energy: -2437.330664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.330664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.330664 (E_RNA)
where:
Base-Base interactions energy: -1707.270
where: short stacking energy: -721.315
Base-Backbone interact. energy: -1.258
local terms energy: -728.802628
where:
bonds (distance) C4'-P energy: -131.951
bonds (distance) P-C4' energy: -140.410
flat angles C4'-P-C4' energy: -161.858
flat angles P-C4'-P energy: -98.321
tors. eta vs tors. theta energy: -196.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -2426.807774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.807774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.807774 (E_RNA)
where:
Base-Base interactions energy: -1701.208
where: short stacking energy: -713.401
Base-Backbone interact. energy: 1.985
local terms energy: -727.584860
where:
bonds (distance) C4'-P energy: -126.728
bonds (distance) P-C4' energy: -144.142
flat angles C4'-P-C4' energy: -154.909
flat angles P-C4'-P energy: -94.362
tors. eta vs tors. theta energy: -207.444
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: 10
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2203.456250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.456250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.456250 (E_RNA)
where:
Base-Base interactions energy: -1506.278
where: short stacking energy: -679.633
Base-Backbone interact. energy: -0.412
local terms energy: -696.766154
where:
bonds (distance) C4'-P energy: -126.108
bonds (distance) P-C4' energy: -120.276
flat angles C4'-P-C4' energy: -152.264
flat angles P-C4'-P energy: -104.291
tors. eta vs tors. theta energy: -193.827
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -2191.038154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.038154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.038154 (E_RNA)
where:
Base-Base interactions energy: -1532.126
where: short stacking energy: -678.106
Base-Backbone interact. energy: 2.270
local terms energy: -661.182429
where:
bonds (distance) C4'-P energy: -105.949
bonds (distance) P-C4' energy: -138.452
flat angles C4'-P-C4' energy: -137.605
flat angles P-C4'-P energy: -92.332
tors. eta vs tors. theta energy: -186.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -2070.838041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.838041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.838041 (E_RNA)
where:
Base-Base interactions energy: -1447.799
where: short stacking energy: -633.485
Base-Backbone interact. energy: 1.445
local terms energy: -624.484115
where:
bonds (distance) C4'-P energy: -99.647
bonds (distance) P-C4' energy: -125.909
flat angles C4'-P-C4' energy: -145.281
flat angles P-C4'-P energy: -86.891
tors. eta vs tors. theta energy: -166.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1563.374861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.374861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.374861 (E_RNA)
where:
Base-Base interactions energy: -1008.848
where: short stacking energy: -443.841
Base-Backbone interact. energy: -3.210
local terms energy: -551.317556
where:
bonds (distance) C4'-P energy: -117.955
bonds (distance) P-C4' energy: -135.503
flat angles C4'-P-C4' energy: -123.450
flat angles P-C4'-P energy: -83.377
tors. eta vs tors. theta energy: -91.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1565.280154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.280154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.280154 (E_RNA)
where:
Base-Base interactions energy: -1035.871
where: short stacking energy: -455.038
Base-Backbone interact. energy: -3.388
local terms energy: -526.021468
where:
bonds (distance) C4'-P energy: -94.813
bonds (distance) P-C4' energy: -122.126
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -74.593
tors. eta vs tors. theta energy: -109.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1357.561667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.561667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.561667 (E_RNA)
where:
Base-Base interactions energy: -887.759
where: short stacking energy: -396.371
Base-Backbone interact. energy: 2.808
local terms energy: -472.610933
where:
bonds (distance) C4'-P energy: -125.014
bonds (distance) P-C4' energy: -111.407
flat angles C4'-P-C4' energy: -96.331
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -75.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -939.791804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.791804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.791804 (E_RNA)
where:
Base-Base interactions energy: -522.216
where: short stacking energy: -278.564
Base-Backbone interact. energy: 0.752
local terms energy: -418.327695
where:
bonds (distance) C4'-P energy: -115.881
bonds (distance) P-C4' energy: -123.245
flat angles C4'-P-C4' energy: -76.647
flat angles P-C4'-P energy: -63.423
tors. eta vs tors. theta energy: -39.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2540.724977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.724977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.724977 (E_RNA)
where:
Base-Base interactions energy: -1787.259
where: short stacking energy: -748.126
Base-Backbone interact. energy: -4.227
local terms energy: -749.238674
where:
bonds (distance) C4'-P energy: -132.077
bonds (distance) P-C4' energy: -137.713
flat angles C4'-P-C4' energy: -161.716
flat angles P-C4'-P energy: -108.135
tors. eta vs tors. theta energy: -209.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2489.307922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.307922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.307922 (E_RNA)
where:
Base-Base interactions energy: -1722.975
where: short stacking energy: -735.645
Base-Backbone interact. energy: -8.690
local terms energy: -757.643576
where:
bonds (distance) C4'-P energy: -145.472
bonds (distance) P-C4' energy: -142.222
flat angles C4'-P-C4' energy: -163.664
flat angles P-C4'-P energy: -103.711
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: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2430.879002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.879002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.879002 (E_RNA)
where:
Base-Base interactions energy: -1716.153
where: short stacking energy: -693.989
Base-Backbone interact. energy: 1.672
local terms energy: -716.398024
where:
bonds (distance) C4'-P energy: -127.017
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -144.771
flat angles P-C4'-P energy: -111.391
tors. eta vs tors. theta energy: -198.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2198.994079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.994079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.994079 (E_RNA)
where:
Base-Base interactions energy: -1494.616
where: short stacking energy: -688.849
Base-Backbone interact. energy: -1.550
local terms energy: -702.827981
where:
bonds (distance) C4'-P energy: -135.986
bonds (distance) P-C4' energy: -133.369
flat angles C4'-P-C4' energy: -145.218
flat angles P-C4'-P energy: -98.826
tors. eta vs tors. theta energy: -189.428
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: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -2135.057973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.057973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.057973 (E_RNA)
where:
Base-Base interactions energy: -1506.559
where: short stacking energy: -609.534
Base-Backbone interact. energy: -2.338
local terms energy: -626.161311
where:
bonds (distance) C4'-P energy: -112.434
bonds (distance) P-C4' energy: -124.117
flat angles C4'-P-C4' energy: -150.447
flat angles P-C4'-P energy: -84.068
tors. eta vs tors. theta energy: -155.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -2041.824172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.824172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.824172 (E_RNA)
where:
Base-Base interactions energy: -1385.601
where: short stacking energy: -600.878
Base-Backbone interact. energy: -3.009
local terms energy: -653.214270
where:
bonds (distance) C4'-P energy: -129.001
bonds (distance) P-C4' energy: -128.513
flat angles C4'-P-C4' energy: -140.533
flat angles P-C4'-P energy: -90.949
tors. eta vs tors. theta energy: -164.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1518.658103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.658103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.658103 (E_RNA)
where:
Base-Base interactions energy: -999.722
where: short stacking energy: -455.898
Base-Backbone interact. energy: -0.005
local terms energy: -518.931832
where:
bonds (distance) C4'-P energy: -116.105
bonds (distance) P-C4' energy: -113.768
flat angles C4'-P-C4' energy: -121.071
flat angles P-C4'-P energy: -80.642
tors. eta vs tors. theta energy: -87.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1567.020730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.020730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.020730 (E_RNA)
where:
Base-Base interactions energy: -1014.921
where: short stacking energy: -468.731
Base-Backbone interact. energy: -1.968
local terms energy: -550.131831
where:
bonds (distance) C4'-P energy: -105.310
bonds (distance) P-C4' energy: -139.404
flat angles C4'-P-C4' energy: -123.577
flat angles P-C4'-P energy: -70.596
tors. eta vs tors. theta energy: -111.246
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: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1372.468041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.468041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.468041 (E_RNA)
where:
Base-Base interactions energy: -904.757
where: short stacking energy: -404.212
Base-Backbone interact. energy: -0.837
local terms energy: -466.874109
where:
bonds (distance) C4'-P energy: -86.889
bonds (distance) P-C4' energy: -123.058
flat angles C4'-P-C4' energy: -131.658
flat angles P-C4'-P energy: -63.706
tors. eta vs tors. theta energy: -61.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -975.286518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.286518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.286518 (E_RNA)
where:
Base-Base interactions energy: -583.429
where: short stacking energy: -298.111
Base-Backbone interact. energy: 5.844
local terms energy: -397.701543
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -116.121
flat angles C4'-P-C4' energy: -93.832
flat angles P-C4'-P energy: -56.642
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2565.635807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.635807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.635807 (E_RNA)
where:
Base-Base interactions energy: -1829.081
where: short stacking energy: -758.842
Base-Backbone interact. energy: -2.022
local terms energy: -734.532239
where:
bonds (distance) C4'-P energy: -117.194
bonds (distance) P-C4' energy: -138.672
flat angles C4'-P-C4' energy: -156.811
flat angles P-C4'-P energy: -103.987
tors. eta vs tors. theta energy: -217.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2503.006195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.006195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.006195 (E_RNA)
where:
Base-Base interactions energy: -1754.280
where: short stacking energy: -753.029
Base-Backbone interact. energy: -7.115
local terms energy: -741.610948
where:
bonds (distance) C4'-P energy: -122.050
bonds (distance) P-C4' energy: -138.959
flat angles C4'-P-C4' energy: -168.339
flat angles P-C4'-P energy: -105.533
tors. eta vs tors. theta energy: -206.730
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: 210
Temperature: 1.000000
Total energy: -2424.889509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.889509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.889509 (E_RNA)
where:
Base-Base interactions energy: -1704.546
where: short stacking energy: -712.961
Base-Backbone interact. energy: -3.122
local terms energy: -717.221131
where:
bonds (distance) C4'-P energy: -118.883
bonds (distance) P-C4' energy: -137.961
flat angles C4'-P-C4' energy: -150.616
flat angles P-C4'-P energy: -103.612
tors. eta vs tors. theta energy: -206.149
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: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2261.176850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.176850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.176850 (E_RNA)
where:
Base-Base interactions energy: -1558.584
where: short stacking energy: -696.395
Base-Backbone interact. energy: -2.109
local terms energy: -700.483353
where:
bonds (distance) C4'-P energy: -128.395
bonds (distance) P-C4' energy: -127.713
flat angles C4'-P-C4' energy: -144.034
flat angles P-C4'-P energy: -94.146
tors. eta vs tors. theta energy: -206.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -2177.757682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.757682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.757682 (E_RNA)
where:
Base-Base interactions energy: -1531.297
where: short stacking energy: -634.652
Base-Backbone interact. energy: 0.235
local terms energy: -646.695611
where:
bonds (distance) C4'-P energy: -117.676
bonds (distance) P-C4' energy: -130.811
flat angles C4'-P-C4' energy: -138.388
flat angles P-C4'-P energy: -84.845
tors. eta vs tors. theta energy: -174.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -2014.163961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.163961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.163961 (E_RNA)
where:
Base-Base interactions energy: -1377.081
where: short stacking energy: -605.922
Base-Backbone interact. energy: 0.624
local terms energy: -637.706934
where:
bonds (distance) C4'-P energy: -112.828
bonds (distance) P-C4' energy: -129.870
flat angles C4'-P-C4' energy: -138.370
flat angles P-C4'-P energy: -101.275
tors. eta vs tors. theta energy: -155.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1519.075378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.075378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.075378 (E_RNA)
where:
Base-Base interactions energy: -996.305
where: short stacking energy: -450.321
Base-Backbone interact. energy: 5.688
local terms energy: -528.458298
where:
bonds (distance) C4'-P energy: -116.152
bonds (distance) P-C4' energy: -121.997
flat angles C4'-P-C4' energy: -115.324
flat angles P-C4'-P energy: -81.581
tors. eta vs tors. theta energy: -93.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1520.109135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.109135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.109135 (E_RNA)
where:
Base-Base interactions energy: -968.100
where: short stacking energy: -424.834
Base-Backbone interact. energy: -3.459
local terms energy: -548.549939
where:
bonds (distance) C4'-P energy: -135.511
bonds (distance) P-C4' energy: -115.735
flat angles C4'-P-C4' energy: -125.903
flat angles P-C4'-P energy: -75.747
tors. eta vs tors. theta energy: -95.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1387.510100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.510100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.510100 (E_RNA)
where:
Base-Base interactions energy: -932.268
where: short stacking energy: -405.715
Base-Backbone interact. energy: 4.092
local terms energy: -459.334159
where:
bonds (distance) C4'-P energy: -94.298
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -115.121
flat angles P-C4'-P energy: -68.306
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: 10, replica: 8
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -979.647578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.647578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.647578 (E_RNA)
where:
Base-Base interactions energy: -528.411
where: short stacking energy: -270.118
Base-Backbone interact. energy: -3.177
local terms energy: -448.059225
where:
bonds (distance) C4'-P energy: -112.671
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -119.984
flat angles P-C4'-P energy: -56.168
tors. eta vs tors. theta energy: -21.801
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: 211
Temperature: 0.900000
Total energy: -2537.616161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.616161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.616161 (E_RNA)
where:
Base-Base interactions energy: -1768.547
where: short stacking energy: -743.550
Base-Backbone interact. energy: -2.611
local terms energy: -766.458278
where:
bonds (distance) C4'-P energy: -143.004
bonds (distance) P-C4' energy: -145.288
flat angles C4'-P-C4' energy: -156.908
flat angles P-C4'-P energy: -115.752
tors. eta vs tors. theta energy: -205.506
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: 2, replica: 7
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2436.166678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.166678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.166678 (E_RNA)
where:
Base-Base interactions energy: -1705.095
where: short stacking energy: -724.075
Base-Backbone interact. energy: -2.511
local terms energy: -728.560931
where:
bonds (distance) C4'-P energy: -138.280
bonds (distance) P-C4' energy: -134.777
flat angles C4'-P-C4' energy: -149.415
flat angles P-C4'-P energy: -113.143
tors. eta vs tors. theta energy: -192.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2440.885216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.885216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.885216 (E_RNA)
where:
Base-Base interactions energy: -1716.137
where: short stacking energy: -708.623
Base-Backbone interact. energy: -4.247
local terms energy: -720.501093
where:
bonds (distance) C4'-P energy: -130.934
bonds (distance) P-C4' energy: -143.795
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -89.334
tors. eta vs tors. theta energy: -194.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2249.090425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.090425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.090425 (E_RNA)
where:
Base-Base interactions energy: -1539.262
where: short stacking energy: -696.871
Base-Backbone interact. energy: -2.200
local terms energy: -707.628591
where:
bonds (distance) C4'-P energy: -121.784
bonds (distance) P-C4' energy: -126.008
flat angles C4'-P-C4' energy: -150.138
flat angles P-C4'-P energy: -102.474
tors. eta vs tors. theta energy: -207.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -2176.855866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.855866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.855866 (E_RNA)
where:
Base-Base interactions energy: -1514.325
where: short stacking energy: -657.930
Base-Backbone interact. energy: 3.672
local terms energy: -666.202784
where:
bonds (distance) C4'-P energy: -123.234
bonds (distance) P-C4' energy: -133.105
flat angles C4'-P-C4' energy: -142.865
flat angles P-C4'-P energy: -90.826
tors. eta vs tors. theta energy: -176.172
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: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1990.563380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.563380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.563380 (E_RNA)
where:
Base-Base interactions energy: -1358.098
where: short stacking energy: -603.112
Base-Backbone interact. energy: -2.388
local terms energy: -630.076601
where:
bonds (distance) C4'-P energy: -116.842
bonds (distance) P-C4' energy: -120.856
flat angles C4'-P-C4' energy: -137.580
flat angles P-C4'-P energy: -102.516
tors. eta vs tors. theta energy: -152.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1609.202833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.202833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.202833 (E_RNA)
where:
Base-Base interactions energy: -1070.964
where: short stacking energy: -505.114
Base-Backbone interact. energy: 1.970
local terms energy: -540.208553
where:
bonds (distance) C4'-P energy: -102.318
bonds (distance) P-C4' energy: -121.142
flat angles C4'-P-C4' energy: -127.622
flat angles P-C4'-P energy: -77.758
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: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1564.773323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.773323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.773323 (E_RNA)
where:
Base-Base interactions energy: -1045.925
where: short stacking energy: -445.878
Base-Backbone interact. energy: 5.054
local terms energy: -523.902409
where:
bonds (distance) C4'-P energy: -128.347
bonds (distance) P-C4' energy: -134.144
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -49.251
tors. eta vs tors. theta energy: -94.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1427.812783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.812783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.812783 (E_RNA)
where:
Base-Base interactions energy: -957.140
where: short stacking energy: -417.852
Base-Backbone interact. energy: 3.033
local terms energy: -473.706545
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -106.647
flat angles C4'-P-C4' energy: -100.132
flat angles P-C4'-P energy: -77.492
tors. eta vs tors. theta energy: -69.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -952.543731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.543731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.543731 (E_RNA)
where:
Base-Base interactions energy: -553.747
where: short stacking energy: -252.532
Base-Backbone interact. energy: 6.455
local terms energy: -405.252174
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -110.215
flat angles C4'-P-C4' energy: -94.290
flat angles P-C4'-P energy: -67.111
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2559.573861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.573861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.573861 (E_RNA)
where:
Base-Base interactions energy: -1804.011
where: short stacking energy: -741.024
Base-Backbone interact. energy: -6.075
local terms energy: -749.487460
where:
bonds (distance) C4'-P energy: -125.361
bonds (distance) P-C4' energy: -142.328
flat angles C4'-P-C4' energy: -165.965
flat angles P-C4'-P energy: -100.829
tors. eta vs tors. theta energy: -215.005
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: 7
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2454.106481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.106481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.106481 (E_RNA)
where:
Base-Base interactions energy: -1751.817
where: short stacking energy: -739.450
Base-Backbone interact. energy: -5.243
local terms energy: -697.046708
where:
bonds (distance) C4'-P energy: -113.912
bonds (distance) P-C4' energy: -139.206
flat angles C4'-P-C4' energy: -149.171
flat angles P-C4'-P energy: -92.670
tors. eta vs tors. theta energy: -202.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2395.666492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.666492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.666492 (E_RNA)
where:
Base-Base interactions energy: -1704.395
where: short stacking energy: -712.259
Base-Backbone interact. energy: -3.520
local terms energy: -687.751285
where:
bonds (distance) C4'-P energy: -115.397
bonds (distance) P-C4' energy: -135.400
flat angles C4'-P-C4' energy: -149.257
flat angles P-C4'-P energy: -99.727
tors. eta vs tors. theta energy: -187.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2277.904119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.904119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.904119 (E_RNA)
where:
Base-Base interactions energy: -1564.673
where: short stacking energy: -695.213
Base-Backbone interact. energy: -0.928
local terms energy: -712.303407
where:
bonds (distance) C4'-P energy: -133.255
bonds (distance) P-C4' energy: -130.923
flat angles C4'-P-C4' energy: -144.053
flat angles P-C4'-P energy: -106.160
tors. eta vs tors. theta energy: -197.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -2216.861958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.861958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.861958 (E_RNA)
where:
Base-Base interactions energy: -1579.526
where: short stacking energy: -666.271
Base-Backbone interact. energy: -2.137
local terms energy: -635.198485
where:
bonds (distance) C4'-P energy: -107.922
bonds (distance) P-C4' energy: -116.620
flat angles C4'-P-C4' energy: -140.257
flat angles P-C4'-P energy: -92.571
tors. eta vs tors. theta energy: -177.828
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: 212
Temperature: 1.150000
Total energy: -2010.844162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.844162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.844162 (E_RNA)
where:
Base-Base interactions energy: -1380.417
where: short stacking energy: -598.830
Base-Backbone interact. energy: -0.510
local terms energy: -629.916442
where:
bonds (distance) C4'-P energy: -126.967
bonds (distance) P-C4' energy: -123.072
flat angles C4'-P-C4' energy: -131.768
flat angles P-C4'-P energy: -79.390
tors. eta vs tors. theta energy: -168.720
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: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1524.766784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.766784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.766784 (E_RNA)
where:
Base-Base interactions energy: -982.099
where: short stacking energy: -432.837
Base-Backbone interact. energy: -3.956
local terms energy: -538.711329
where:
bonds (distance) C4'-P energy: -123.859
bonds (distance) P-C4' energy: -124.956
flat angles C4'-P-C4' energy: -117.470
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -95.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1513.614005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.614005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.614005 (E_RNA)
where:
Base-Base interactions energy: -1001.418
where: short stacking energy: -454.248
Base-Backbone interact. energy: 0.714
local terms energy: -512.910322
where:
bonds (distance) C4'-P energy: -92.201
bonds (distance) P-C4' energy: -111.605
flat angles C4'-P-C4' energy: -119.026
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -109.652
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: 9, replica: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1374.379835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.379835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.379835 (E_RNA)
where:
Base-Base interactions energy: -909.203
where: short stacking energy: -375.136
Base-Backbone interact. energy: -1.808
local terms energy: -463.369310
where:
bonds (distance) C4'-P energy: -116.951
bonds (distance) P-C4' energy: -120.143
flat angles C4'-P-C4' energy: -104.016
flat angles P-C4'-P energy: -67.577
tors. eta vs tors. theta energy: -54.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -939.050176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.050176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.050176 (E_RNA)
where:
Base-Base interactions energy: -517.894
where: short stacking energy: -276.952
Base-Backbone interact. energy: 1.336
local terms energy: -422.492818
where:
bonds (distance) C4'-P energy: -112.466
bonds (distance) P-C4' energy: -109.126
flat angles C4'-P-C4' energy: -109.953
flat angles P-C4'-P energy: -66.715
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2573.047908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.047908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.047908 (E_RNA)
where:
Base-Base interactions energy: -1813.484
where: short stacking energy: -747.011
Base-Backbone interact. energy: -3.654
local terms energy: -755.909703
where:
bonds (distance) C4'-P energy: -141.306
bonds (distance) P-C4' energy: -146.632
flat angles C4'-P-C4' energy: -151.918
flat angles P-C4'-P energy: -103.110
tors. eta vs tors. theta energy: -212.944
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: 7
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2459.729037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.729037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.729037 (E_RNA)
where:
Base-Base interactions energy: -1726.672
where: short stacking energy: -735.614
Base-Backbone interact. energy: -9.431
local terms energy: -723.625374
where:
bonds (distance) C4'-P energy: -116.570
bonds (distance) P-C4' energy: -139.616
flat angles C4'-P-C4' energy: -151.660
flat angles P-C4'-P energy: -104.080
tors. eta vs tors. theta energy: -211.699
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: 213
Temperature: 1.000000
Total energy: -2410.680724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.680724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.680724 (E_RNA)
where:
Base-Base interactions energy: -1710.125
where: short stacking energy: -716.423
Base-Backbone interact. energy: -3.453
local terms energy: -697.103012
where:
bonds (distance) C4'-P energy: -137.963
bonds (distance) P-C4' energy: -123.617
flat angles C4'-P-C4' energy: -142.707
flat angles P-C4'-P energy: -107.432
tors. eta vs tors. theta energy: -185.384
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: 6
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2236.109831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.109831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.109831 (E_RNA)
where:
Base-Base interactions energy: -1593.147
where: short stacking energy: -645.446
Base-Backbone interact. energy: -0.543
local terms energy: -642.420116
where:
bonds (distance) C4'-P energy: -103.314
bonds (distance) P-C4' energy: -135.935
flat angles C4'-P-C4' energy: -140.090
flat angles P-C4'-P energy: -84.829
tors. eta vs tors. theta energy: -178.251
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: 5, replica: 10
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -2229.535777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.535777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.535777 (E_RNA)
where:
Base-Base interactions energy: -1539.432
where: short stacking energy: -678.043
Base-Backbone interact. energy: 0.202
local terms energy: -690.305945
where:
bonds (distance) C4'-P energy: -112.626
bonds (distance) P-C4' energy: -141.900
flat angles C4'-P-C4' energy: -149.440
flat angles P-C4'-P energy: -87.771
tors. eta vs tors. theta energy: -198.569
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: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -2014.002056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.002056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.002056 (E_RNA)
where:
Base-Base interactions energy: -1396.829
where: short stacking energy: -611.539
Base-Backbone interact. energy: -2.746
local terms energy: -614.426955
where:
bonds (distance) C4'-P energy: -99.244
bonds (distance) P-C4' energy: -126.273
flat angles C4'-P-C4' energy: -141.850
flat angles P-C4'-P energy: -87.871
tors. eta vs tors. theta energy: -159.189
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: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1577.923287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.923287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.923287 (E_RNA)
where:
Base-Base interactions energy: -1011.115
where: short stacking energy: -450.759
Base-Backbone interact. energy: -0.925
local terms energy: -565.883097
where:
bonds (distance) C4'-P energy: -133.382
bonds (distance) P-C4' energy: -111.489
flat angles C4'-P-C4' energy: -127.188
flat angles P-C4'-P energy: -85.391
tors. eta vs tors. theta energy: -108.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1520.101559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.101559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.101559 (E_RNA)
where:
Base-Base interactions energy: -999.045
where: short stacking energy: -440.688
Base-Backbone interact. energy: -2.059
local terms energy: -518.997327
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -102.175
flat angles C4'-P-C4' energy: -108.747
flat angles P-C4'-P energy: -95.545
tors. eta vs tors. theta energy: -100.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1384.787827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.787827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.787827 (E_RNA)
where:
Base-Base interactions energy: -888.896
where: short stacking energy: -406.918
Base-Backbone interact. energy: -2.845
local terms energy: -493.046240
where:
bonds (distance) C4'-P energy: -110.365
bonds (distance) P-C4' energy: -106.550
flat angles C4'-P-C4' energy: -126.061
flat angles P-C4'-P energy: -67.233
tors. eta vs tors. theta energy: -82.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -938.940160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.940160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.940160 (E_RNA)
where:
Base-Base interactions energy: -546.215
where: short stacking energy: -279.296
Base-Backbone interact. energy: 3.391
local terms energy: -396.116807
where:
bonds (distance) C4'-P energy: -97.714
bonds (distance) P-C4' energy: -113.350
flat angles C4'-P-C4' energy: -102.261
flat angles P-C4'-P energy: -67.091
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2582.083156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.083156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.083156 (E_RNA)
where:
Base-Base interactions energy: -1830.844
where: short stacking energy: -750.615
Base-Backbone interact. energy: -4.788
local terms energy: -746.451272
where:
bonds (distance) C4'-P energy: -139.484
bonds (distance) P-C4' energy: -134.861
flat angles C4'-P-C4' energy: -160.028
flat angles P-C4'-P energy: -102.309
tors. eta vs tors. theta energy: -209.769
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: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2458.536037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.536037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.536037 (E_RNA)
where:
Base-Base interactions energy: -1730.823
where: short stacking energy: -739.426
Base-Backbone interact. energy: -0.553
local terms energy: -727.160297
where:
bonds (distance) C4'-P energy: -141.881
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -160.134
flat angles P-C4'-P energy: -101.083
tors. eta vs tors. theta energy: -199.084
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: 214
Temperature: 1.000000
Total energy: -2455.656320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.656320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.656320 (E_RNA)
where:
Base-Base interactions energy: -1718.375
where: short stacking energy: -688.736
Base-Backbone interact. energy: 0.596
local terms energy: -737.877782
where:
bonds (distance) C4'-P energy: -122.705
bonds (distance) P-C4' energy: -155.092
flat angles C4'-P-C4' energy: -149.925
flat angles P-C4'-P energy: -111.511
tors. eta vs tors. theta energy: -198.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2259.777525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.777525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.777525 (E_RNA)
where:
Base-Base interactions energy: -1582.969
where: short stacking energy: -671.036
Base-Backbone interact. energy: 1.366
local terms energy: -678.174570
where:
bonds (distance) C4'-P energy: -119.893
bonds (distance) P-C4' energy: -135.785
flat angles C4'-P-C4' energy: -141.274
flat angles P-C4'-P energy: -100.221
tors. eta vs tors. theta energy: -181.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -2207.242508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.242508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.242508 (E_RNA)
where:
Base-Base interactions energy: -1523.483
where: short stacking energy: -686.833
Base-Backbone interact. energy: -1.331
local terms energy: -682.428601
where:
bonds (distance) C4'-P energy: -120.514
bonds (distance) P-C4' energy: -138.451
flat angles C4'-P-C4' energy: -140.972
flat angles P-C4'-P energy: -99.159
tors. eta vs tors. theta energy: -183.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1949.974193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.974193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.974193 (E_RNA)
where:
Base-Base interactions energy: -1355.492
where: short stacking energy: -600.569
Base-Backbone interact. energy: -5.936
local terms energy: -588.547041
where:
bonds (distance) C4'-P energy: -98.976
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -136.005
flat angles P-C4'-P energy: -74.766
tors. eta vs tors. theta energy: -157.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1527.292025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.292025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.292025 (E_RNA)
where:
Base-Base interactions energy: -1012.650
where: short stacking energy: -492.275
Base-Backbone interact. energy: 5.847
local terms energy: -520.489153
where:
bonds (distance) C4'-P energy: -120.101
bonds (distance) P-C4' energy: -101.767
flat angles C4'-P-C4' energy: -121.155
flat angles P-C4'-P energy: -68.459
tors. eta vs tors. theta energy: -109.007
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: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1522.166228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.166228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.166228 (E_RNA)
where:
Base-Base interactions energy: -995.447
where: short stacking energy: -432.950
Base-Backbone interact. energy: -2.678
local terms energy: -524.041003
where:
bonds (distance) C4'-P energy: -114.624
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -125.942
flat angles P-C4'-P energy: -60.826
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: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1355.724938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.724938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.724938 (E_RNA)
where:
Base-Base interactions energy: -909.618
where: short stacking energy: -383.659
Base-Backbone interact. energy: 5.117
local terms energy: -451.223129
where:
bonds (distance) C4'-P energy: -104.649
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -58.562
tors. eta vs tors. theta energy: -60.505
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: 8
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -963.599323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.599323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.599323 (E_RNA)
where:
Base-Base interactions energy: -570.080
where: short stacking energy: -287.865
Base-Backbone interact. energy: -0.269
local terms energy: -393.250774
where:
bonds (distance) C4'-P energy: -119.012
bonds (distance) P-C4' energy: -98.801
flat angles C4'-P-C4' energy: -98.208
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -12.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2540.383159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.383159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.383159 (E_RNA)
where:
Base-Base interactions energy: -1798.225
where: short stacking energy: -732.898
Base-Backbone interact. energy: -2.211
local terms energy: -739.947109
where:
bonds (distance) C4'-P energy: -132.690
bonds (distance) P-C4' energy: -143.855
flat angles C4'-P-C4' energy: -151.560
flat angles P-C4'-P energy: -106.722
tors. eta vs tors. theta energy: -205.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2473.389920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2473.389920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2473.389920 (E_RNA)
where:
Base-Base interactions energy: -1759.013
where: short stacking energy: -711.546
Base-Backbone interact. energy: -3.271
local terms energy: -711.105119
where:
bonds (distance) C4'-P energy: -134.984
bonds (distance) P-C4' energy: -137.647
flat angles C4'-P-C4' energy: -149.807
flat angles P-C4'-P energy: -103.783
tors. eta vs tors. theta energy: -184.884
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: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2442.446922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.446922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.446922 (E_RNA)
where:
Base-Base interactions energy: -1726.805
where: short stacking energy: -733.681
Base-Backbone interact. energy: 4.776
local terms energy: -720.418598
where:
bonds (distance) C4'-P energy: -131.857
bonds (distance) P-C4' energy: -121.436
flat angles C4'-P-C4' energy: -157.707
flat angles P-C4'-P energy: -104.766
tors. eta vs tors. theta energy: -204.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2314.304080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.304080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.304080 (E_RNA)
where:
Base-Base interactions energy: -1638.456
where: short stacking energy: -709.504
Base-Backbone interact. energy: -5.448
local terms energy: -670.399767
where:
bonds (distance) C4'-P energy: -119.217
bonds (distance) P-C4' energy: -125.043
flat angles C4'-P-C4' energy: -146.532
flat angles P-C4'-P energy: -94.598
tors. eta vs tors. theta energy: -185.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -2239.614057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.614057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.614057 (E_RNA)
where:
Base-Base interactions energy: -1541.461
where: short stacking energy: -700.066
Base-Backbone interact. energy: -1.733
local terms energy: -696.420132
where:
bonds (distance) C4'-P energy: -120.192
bonds (distance) P-C4' energy: -116.154
flat angles C4'-P-C4' energy: -159.740
flat angles P-C4'-P energy: -88.956
tors. eta vs tors. theta energy: -211.379
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: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1964.982533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.982533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.982533 (E_RNA)
where:
Base-Base interactions energy: -1334.446
where: short stacking energy: -606.996
Base-Backbone interact. energy: -2.018
local terms energy: -628.519141
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -127.068
flat angles C4'-P-C4' energy: -134.949
flat angles P-C4'-P energy: -85.278
tors. eta vs tors. theta energy: -167.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1550.651781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.651781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.651781 (E_RNA)
where:
Base-Base interactions energy: -1004.592
where: short stacking energy: -466.778
Base-Backbone interact. energy: -3.832
local terms energy: -542.227668
where:
bonds (distance) C4'-P energy: -121.252
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -124.684
flat angles P-C4'-P energy: -70.148
tors. eta vs tors. theta energy: -103.392
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: 215
Temperature: 1.250000
Total energy: -1532.908728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.908728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.908728 (E_RNA)
where:
Base-Base interactions energy: -1035.205
where: short stacking energy: -468.320
Base-Backbone interact. energy: -1.096
local terms energy: -496.607268
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -108.228
flat angles C4'-P-C4' energy: -118.733
flat angles P-C4'-P energy: -70.162
tors. eta vs tors. theta energy: -92.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1379.751512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.751512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.751512 (E_RNA)
where:
Base-Base interactions energy: -916.833
where: short stacking energy: -370.795
Base-Backbone interact. energy: 1.071
local terms energy: -463.988890
where:
bonds (distance) C4'-P energy: -79.869
bonds (distance) P-C4' energy: -131.103
flat angles C4'-P-C4' energy: -137.606
flat angles P-C4'-P energy: -63.389
tors. eta vs tors. theta energy: -52.023
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: 8
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -985.219262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.219262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.219262 (E_RNA)
where:
Base-Base interactions energy: -556.031
where: short stacking energy: -302.068
Base-Backbone interact. energy: -2.801
local terms energy: -426.387335
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -106.811
flat angles C4'-P-C4' energy: -112.226
flat angles P-C4'-P energy: -54.377
tors. eta vs tors. theta energy: -48.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2558.577554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.577554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.577554 (E_RNA)
where:
Base-Base interactions energy: -1800.646
where: short stacking energy: -752.772
Base-Backbone interact. energy: -2.887
local terms energy: -755.044508
where:
bonds (distance) C4'-P energy: -136.226
bonds (distance) P-C4' energy: -135.722
flat angles C4'-P-C4' energy: -154.025
flat angles P-C4'-P energy: -113.275
tors. eta vs tors. theta energy: -215.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2488.686754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.686754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.686754 (E_RNA)
where:
Base-Base interactions energy: -1780.151
where: short stacking energy: -730.043
Base-Backbone interact. energy: -3.994
local terms energy: -704.541943
where:
bonds (distance) C4'-P energy: -117.079
bonds (distance) P-C4' energy: -126.613
flat angles C4'-P-C4' energy: -157.394
flat angles P-C4'-P energy: -101.710
tors. eta vs tors. theta energy: -201.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2402.491447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.491447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.491447 (E_RNA)
where:
Base-Base interactions energy: -1688.670
where: short stacking energy: -708.481
Base-Backbone interact. energy: -0.407
local terms energy: -713.414227
where:
bonds (distance) C4'-P energy: -127.567
bonds (distance) P-C4' energy: -121.015
flat angles C4'-P-C4' energy: -156.454
flat angles P-C4'-P energy: -108.276
tors. eta vs tors. theta energy: -200.103
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: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2298.936869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.936869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.936869 (E_RNA)
where:
Base-Base interactions energy: -1613.726
where: short stacking energy: -693.955
Base-Backbone interact. energy: -2.615
local terms energy: -682.595160
where:
bonds (distance) C4'-P energy: -121.294
bonds (distance) P-C4' energy: -144.309
flat angles C4'-P-C4' energy: -142.460
flat angles P-C4'-P energy: -97.481
tors. eta vs tors. theta energy: -177.051
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: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -2185.299551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.299551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.299551 (E_RNA)
where:
Base-Base interactions energy: -1532.480
where: short stacking energy: -673.875
Base-Backbone interact. energy: -0.816
local terms energy: -652.003032
where:
bonds (distance) C4'-P energy: -117.683
bonds (distance) P-C4' energy: -114.720
flat angles C4'-P-C4' energy: -142.130
flat angles P-C4'-P energy: -86.440
tors. eta vs tors. theta energy: -191.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1980.559055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.559055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.559055 (E_RNA)
where:
Base-Base interactions energy: -1345.068
where: short stacking energy: -610.399
Base-Backbone interact. energy: -4.419
local terms energy: -631.072620
where:
bonds (distance) C4'-P energy: -118.093
bonds (distance) P-C4' energy: -122.530
flat angles C4'-P-C4' energy: -139.728
flat angles P-C4'-P energy: -81.156
tors. eta vs tors. theta energy: -169.565
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: 4
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1588.403673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.403673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.403673 (E_RNA)
where:
Base-Base interactions energy: -1055.348
where: short stacking energy: -458.363
Base-Backbone interact. energy: -3.696
local terms energy: -529.359353
where:
bonds (distance) C4'-P energy: -105.020
bonds (distance) P-C4' energy: -131.086
flat angles C4'-P-C4' energy: -123.029
flat angles P-C4'-P energy: -75.325
tors. eta vs tors. theta energy: -94.898
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: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1458.532518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.532518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.532518 (E_RNA)
where:
Base-Base interactions energy: -962.571
where: short stacking energy: -431.633
Base-Backbone interact. energy: -3.875
local terms energy: -492.086349
where:
bonds (distance) C4'-P energy: -100.010
bonds (distance) P-C4' energy: -127.020
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -80.655
tors. eta vs tors. theta energy: -73.812
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: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1401.374599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.374599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.374599 (E_RNA)
where:
Base-Base interactions energy: -911.601
where: short stacking energy: -408.840
Base-Backbone interact. energy: -0.248
local terms energy: -489.525403
where:
bonds (distance) C4'-P energy: -100.002
bonds (distance) P-C4' energy: -107.874
flat angles C4'-P-C4' energy: -136.231
flat angles P-C4'-P energy: -63.651
tors. eta vs tors. theta energy: -81.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -1082.228792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.228792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.228792 (E_RNA)
where:
Base-Base interactions energy: -649.007
where: short stacking energy: -316.486
Base-Backbone interact. energy: -0.318
local terms energy: -432.904198
where:
bonds (distance) C4'-P energy: -103.573
bonds (distance) P-C4' energy: -125.544
flat angles C4'-P-C4' energy: -104.950
flat angles P-C4'-P energy: -55.903
tors. eta vs tors. theta energy: -42.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2595.446834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.446834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.446834 (E_RNA)
where:
Base-Base interactions energy: -1848.840
where: short stacking energy: -766.334
Base-Backbone interact. energy: 1.717
local terms energy: -748.324001
where:
bonds (distance) C4'-P energy: -134.281
bonds (distance) P-C4' energy: -143.311
flat angles C4'-P-C4' energy: -156.958
flat angles P-C4'-P energy: -97.635
tors. eta vs tors. theta energy: -216.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2467.175282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.175282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.175282 (E_RNA)
where:
Base-Base interactions energy: -1752.504
where: short stacking energy: -717.026
Base-Backbone interact. energy: 5.216
local terms energy: -719.887893
where:
bonds (distance) C4'-P energy: -131.132
bonds (distance) P-C4' energy: -143.883
flat angles C4'-P-C4' energy: -150.555
flat angles P-C4'-P energy: -101.465
tors. eta vs tors. theta energy: -192.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2379.606310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.606310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.606310 (E_RNA)
where:
Base-Base interactions energy: -1688.825
where: short stacking energy: -724.921
Base-Backbone interact. energy: -0.451
local terms energy: -690.329697
where:
bonds (distance) C4'-P energy: -117.673
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -154.375
flat angles P-C4'-P energy: -82.382
tors. eta vs tors. theta energy: -201.617
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: 6
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2229.570500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.570500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.570500 (E_RNA)
where:
Base-Base interactions energy: -1560.727
where: short stacking energy: -659.889
Base-Backbone interact. energy: -2.542
local terms energy: -666.301378
where:
bonds (distance) C4'-P energy: -120.813
bonds (distance) P-C4' energy: -118.670
flat angles C4'-P-C4' energy: -150.231
flat angles P-C4'-P energy: -105.973
tors. eta vs tors. theta energy: -170.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -2164.663440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.663440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.663440 (E_RNA)
where:
Base-Base interactions energy: -1511.581
where: short stacking energy: -652.764
Base-Backbone interact. energy: -2.175
local terms energy: -650.907324
where:
bonds (distance) C4'-P energy: -111.165
bonds (distance) P-C4' energy: -115.204
flat angles C4'-P-C4' energy: -142.720
flat angles P-C4'-P energy: -96.964
tors. eta vs tors. theta energy: -184.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -2013.126577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.126577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.126577 (E_RNA)
where:
Base-Base interactions energy: -1420.168
where: short stacking energy: -648.357
Base-Backbone interact. energy: -1.079
local terms energy: -591.879705
where:
bonds (distance) C4'-P energy: -84.742
bonds (distance) P-C4' energy: -118.371
flat angles C4'-P-C4' energy: -139.813
flat angles P-C4'-P energy: -86.037
tors. eta vs tors. theta energy: -162.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1582.442204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.442204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.442204 (E_RNA)
where:
Base-Base interactions energy: -1032.982
where: short stacking energy: -443.484
Base-Backbone interact. energy: -1.805
local terms energy: -547.655837
where:
bonds (distance) C4'-P energy: -109.201
bonds (distance) P-C4' energy: -133.090
flat angles C4'-P-C4' energy: -135.843
flat angles P-C4'-P energy: -89.105
tors. eta vs tors. theta energy: -80.418
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: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1422.517552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.517552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.517552 (E_RNA)
where:
Base-Base interactions energy: -954.873
where: short stacking energy: -432.950
Base-Backbone interact. energy: -1.291
local terms energy: -466.353121
where:
bonds (distance) C4'-P energy: -87.095
bonds (distance) P-C4' energy: -112.582
flat angles C4'-P-C4' energy: -122.284
flat angles P-C4'-P energy: -72.065
tors. eta vs tors. theta energy: -72.327
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: 9, replica: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1385.621938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.621938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.621938 (E_RNA)
where:
Base-Base interactions energy: -907.528
where: short stacking energy: -407.658
Base-Backbone interact. energy: 3.033
local terms energy: -481.126405
where:
bonds (distance) C4'-P energy: -98.717
bonds (distance) P-C4' energy: -121.077
flat angles C4'-P-C4' energy: -119.305
flat angles P-C4'-P energy: -59.560
tors. eta vs tors. theta energy: -82.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -1015.089929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.089929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.089929 (E_RNA)
where:
Base-Base interactions energy: -586.997
where: short stacking energy: -283.868
Base-Backbone interact. energy: -2.165
local terms energy: -425.928018
where:
bonds (distance) C4'-P energy: -99.863
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -124.635
flat angles P-C4'-P energy: -47.016
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: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2600.243054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.243054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.243054 (E_RNA)
where:
Base-Base interactions energy: -1827.474
where: short stacking energy: -759.385
Base-Backbone interact. energy: -5.118
local terms energy: -767.651486
where:
bonds (distance) C4'-P energy: -133.597
bonds (distance) P-C4' energy: -159.275
flat angles C4'-P-C4' energy: -155.859
flat angles P-C4'-P energy: -115.543
tors. eta vs tors. theta energy: -203.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2495.368778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.368778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.368778 (E_RNA)
where:
Base-Base interactions energy: -1776.159
where: short stacking energy: -735.224
Base-Backbone interact. energy: 0.430
local terms energy: -719.639666
where:
bonds (distance) C4'-P energy: -132.303
bonds (distance) P-C4' energy: -134.607
flat angles C4'-P-C4' energy: -152.533
flat angles P-C4'-P energy: -102.064
tors. eta vs tors. theta energy: -198.132
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: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2421.529742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.529742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.529742 (E_RNA)
where:
Base-Base interactions energy: -1688.274
where: short stacking energy: -714.827
Base-Backbone interact. energy: -2.580
local terms energy: -730.675780
where:
bonds (distance) C4'-P energy: -137.194
bonds (distance) P-C4' energy: -125.222
flat angles C4'-P-C4' energy: -154.795
flat angles P-C4'-P energy: -104.766
tors. eta vs tors. theta energy: -208.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2320.751037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.751037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.751037 (E_RNA)
where:
Base-Base interactions energy: -1675.626
where: short stacking energy: -703.108
Base-Backbone interact. energy: -0.758
local terms energy: -644.367146
where:
bonds (distance) C4'-P energy: -111.423
bonds (distance) P-C4' energy: -124.923
flat angles C4'-P-C4' energy: -136.352
flat angles P-C4'-P energy: -92.406
tors. eta vs tors. theta energy: -179.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2177.724228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.724228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.724228 (E_RNA)
where:
Base-Base interactions energy: -1525.768
where: short stacking energy: -695.456
Base-Backbone interact. energy: -1.970
local terms energy: -649.986162
where:
bonds (distance) C4'-P energy: -121.362
bonds (distance) P-C4' energy: -119.735
flat angles C4'-P-C4' energy: -138.961
flat angles P-C4'-P energy: -80.263
tors. eta vs tors. theta energy: -189.666
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: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -2002.355201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.355201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.355201 (E_RNA)
where:
Base-Base interactions energy: -1397.916
where: short stacking energy: -613.415
Base-Backbone interact. energy: -2.197
local terms energy: -602.241761
where:
bonds (distance) C4'-P energy: -92.390
bonds (distance) P-C4' energy: -121.195
flat angles C4'-P-C4' energy: -133.337
flat angles P-C4'-P energy: -89.773
tors. eta vs tors. theta energy: -165.548
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: 4
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1564.128081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.128081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.128081 (E_RNA)
where:
Base-Base interactions energy: -1053.569
where: short stacking energy: -487.399
Base-Backbone interact. energy: -0.514
local terms energy: -510.045687
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -108.054
flat angles C4'-P-C4' energy: -119.534
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -103.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1439.095638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.095638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.095638 (E_RNA)
where:
Base-Base interactions energy: -942.950
where: short stacking energy: -436.490
Base-Backbone interact. energy: -0.733
local terms energy: -495.412240
where:
bonds (distance) C4'-P energy: -123.670
bonds (distance) P-C4' energy: -123.869
flat angles C4'-P-C4' energy: -103.437
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: -78.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1372.982689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.982689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.982689 (E_RNA)
where:
Base-Base interactions energy: -912.217
where: short stacking energy: -412.269
Base-Backbone interact. energy: 0.602
local terms energy: -461.368153
where:
bonds (distance) C4'-P energy: -107.028
bonds (distance) P-C4' energy: -140.281
flat angles C4'-P-C4' energy: -86.024
flat angles P-C4'-P energy: -58.834
tors. eta vs tors. theta energy: -69.201
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: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -1043.283003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.283003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.283003 (E_RNA)
where:
Base-Base interactions energy: -614.372
where: short stacking energy: -293.820
Base-Backbone interact. energy: -0.838
local terms energy: -428.072341
where:
bonds (distance) C4'-P energy: -100.446
bonds (distance) P-C4' energy: -125.185
flat angles C4'-P-C4' energy: -114.523
flat angles P-C4'-P energy: -57.417
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2567.912280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.912280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.912280 (E_RNA)
where:
Base-Base interactions energy: -1826.568
where: short stacking energy: -778.467
Base-Backbone interact. energy: -4.657
local terms energy: -736.687173
where:
bonds (distance) C4'-P energy: -128.475
bonds (distance) P-C4' energy: -121.095
flat angles C4'-P-C4' energy: -164.528
flat angles P-C4'-P energy: -108.081
tors. eta vs tors. theta energy: -214.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2502.059998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.059998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.059998 (E_RNA)
where:
Base-Base interactions energy: -1776.619
where: short stacking energy: -732.203
Base-Backbone interact. energy: -1.461
local terms energy: -723.980074
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -139.907
flat angles C4'-P-C4' energy: -156.992
flat angles P-C4'-P energy: -96.297
tors. eta vs tors. theta energy: -198.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2400.358407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.358407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.358407 (E_RNA)
where:
Base-Base interactions energy: -1680.426
where: short stacking energy: -693.394
Base-Backbone interact. energy: -2.441
local terms energy: -717.492125
where:
bonds (distance) C4'-P energy: -134.338
bonds (distance) P-C4' energy: -144.912
flat angles C4'-P-C4' energy: -149.386
flat angles P-C4'-P energy: -98.370
tors. eta vs tors. theta energy: -190.486
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: 6
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2297.856719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.856719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.856719 (E_RNA)
where:
Base-Base interactions energy: -1625.950
where: short stacking energy: -681.810
Base-Backbone interact. energy: -2.127
local terms energy: -669.779268
where:
bonds (distance) C4'-P energy: -102.413
bonds (distance) P-C4' energy: -131.327
flat angles C4'-P-C4' energy: -153.526
flat angles P-C4'-P energy: -103.614
tors. eta vs tors. theta energy: -178.900
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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2182.711739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.711739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.711739 (E_RNA)
where:
Base-Base interactions energy: -1489.476
where: short stacking energy: -674.207
Base-Backbone interact. energy: -1.130
local terms energy: -692.105943
where:
bonds (distance) C4'-P energy: -131.572
bonds (distance) P-C4' energy: -127.846
flat angles C4'-P-C4' energy: -143.177
flat angles P-C4'-P energy: -87.675
tors. eta vs tors. theta energy: -201.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -2104.659727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.659727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.659727 (E_RNA)
where:
Base-Base interactions energy: -1450.644
where: short stacking energy: -654.518
Base-Backbone interact. energy: 1.901
local terms energy: -655.915943
where:
bonds (distance) C4'-P energy: -120.279
bonds (distance) P-C4' energy: -126.798
flat angles C4'-P-C4' energy: -146.269
flat angles P-C4'-P energy: -87.199
tors. eta vs tors. theta energy: -175.371
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: 4
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1515.698025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.698025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.698025 (E_RNA)
where:
Base-Base interactions energy: -977.618
where: short stacking energy: -443.601
Base-Backbone interact. energy: -0.171
local terms energy: -537.908587
where:
bonds (distance) C4'-P energy: -122.358
bonds (distance) P-C4' energy: -123.392
flat angles C4'-P-C4' energy: -120.710
flat angles P-C4'-P energy: -88.358
tors. eta vs tors. theta energy: -83.091
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: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1425.078576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.078576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.078576 (E_RNA)
where:
Base-Base interactions energy: -914.499
where: short stacking energy: -420.672
Base-Backbone interact. energy: -0.216
local terms energy: -510.363709
where:
bonds (distance) C4'-P energy: -118.899
bonds (distance) P-C4' energy: -109.024
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -79.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1361.365160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.365160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.365160 (E_RNA)
where:
Base-Base interactions energy: -865.163
where: short stacking energy: -381.080
Base-Backbone interact. energy: 2.044
local terms energy: -498.246232
where:
bonds (distance) C4'-P energy: -100.192
bonds (distance) P-C4' energy: -127.454
flat angles C4'-P-C4' energy: -112.820
flat angles P-C4'-P energy: -87.450
tors. eta vs tors. theta energy: -70.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -978.073022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.073022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.073022 (E_RNA)
where:
Base-Base interactions energy: -577.620
where: short stacking energy: -290.680
Base-Backbone interact. energy: 3.209
local terms energy: -403.662375
where:
bonds (distance) C4'-P energy: -80.468
bonds (distance) P-C4' energy: -110.720
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -62.934
tors. eta vs tors. theta energy: -38.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2553.761530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.761530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.761530 (E_RNA)
where:
Base-Base interactions energy: -1822.884
where: short stacking energy: -738.910
Base-Backbone interact. energy: -5.819
local terms energy: -725.058079
where:
bonds (distance) C4'-P energy: -122.609
bonds (distance) P-C4' energy: -128.021
flat angles C4'-P-C4' energy: -164.713
flat angles P-C4'-P energy: -103.963
tors. eta vs tors. theta energy: -205.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2469.632761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.632761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.632761 (E_RNA)
where:
Base-Base interactions energy: -1753.113
where: short stacking energy: -732.154
Base-Backbone interact. energy: -4.184
local terms energy: -712.335894
where:
bonds (distance) C4'-P energy: -132.562
bonds (distance) P-C4' energy: -120.277
flat angles C4'-P-C4' energy: -150.049
flat angles P-C4'-P energy: -102.363
tors. eta vs tors. theta energy: -207.084
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: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -2358.091475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.091475 (E_RNA)
where:
Base-Base interactions energy: -1667.294
where: short stacking energy: -715.341
Base-Backbone interact. energy: 3.275
local terms energy: -694.072770
where:
bonds (distance) C4'-P energy: -118.515
bonds (distance) P-C4' energy: -133.900
flat angles C4'-P-C4' energy: -147.237
flat angles P-C4'-P energy: -97.744
tors. eta vs tors. theta energy: -196.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2298.114491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.114491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.114491 (E_RNA)
where:
Base-Base interactions energy: -1623.407
where: short stacking energy: -685.396
Base-Backbone interact. energy: -1.919
local terms energy: -672.787740
where:
bonds (distance) C4'-P energy: -137.249
bonds (distance) P-C4' energy: -119.446
flat angles C4'-P-C4' energy: -137.835
flat angles P-C4'-P energy: -97.256
tors. eta vs tors. theta energy: -181.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2185.860269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.860269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.860269 (E_RNA)
where:
Base-Base interactions energy: -1516.670
where: short stacking energy: -668.878
Base-Backbone interact. energy: 0.506
local terms energy: -669.696266
where:
bonds (distance) C4'-P energy: -125.356
bonds (distance) P-C4' energy: -125.089
flat angles C4'-P-C4' energy: -141.802
flat angles P-C4'-P energy: -91.641
tors. eta vs tors. theta energy: -185.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -2069.906669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.906669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.906669 (E_RNA)
where:
Base-Base interactions energy: -1415.264
where: short stacking energy: -649.663
Base-Backbone interact. energy: -1.781
local terms energy: -652.861285
where:
bonds (distance) C4'-P energy: -114.733
bonds (distance) P-C4' energy: -124.702
flat angles C4'-P-C4' energy: -148.566
flat angles P-C4'-P energy: -81.340
tors. eta vs tors. theta energy: -183.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1563.288032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.288032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.288032 (E_RNA)
where:
Base-Base interactions energy: -1011.735
where: short stacking energy: -466.500
Base-Backbone interact. energy: 3.632
local terms energy: -555.185581
where:
bonds (distance) C4'-P energy: -116.358
bonds (distance) P-C4' energy: -131.469
flat angles C4'-P-C4' energy: -134.809
flat angles P-C4'-P energy: -78.958
tors. eta vs tors. theta energy: -93.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1461.456867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.456867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.456867 (E_RNA)
where:
Base-Base interactions energy: -989.050
where: short stacking energy: -443.914
Base-Backbone interact. energy: 4.854
local terms energy: -477.260728
where:
bonds (distance) C4'-P energy: -102.334
bonds (distance) P-C4' energy: -110.162
flat angles C4'-P-C4' energy: -112.229
flat angles P-C4'-P energy: -69.598
tors. eta vs tors. theta energy: -82.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1336.951204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.951204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.951204 (E_RNA)
where:
Base-Base interactions energy: -847.198
where: short stacking energy: -371.005
Base-Backbone interact. energy: -2.784
local terms energy: -486.969371
where:
bonds (distance) C4'-P energy: -111.320
bonds (distance) P-C4' energy: -124.859
flat angles C4'-P-C4' energy: -109.194
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -63.824
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: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -1035.488389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.488389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.488389 (E_RNA)
where:
Base-Base interactions energy: -656.177
where: short stacking energy: -332.518
Base-Backbone interact. energy: 2.242
local terms energy: -381.553005
where:
bonds (distance) C4'-P energy: -94.765
bonds (distance) P-C4' energy: -99.360
flat angles C4'-P-C4' energy: -92.301
flat angles P-C4'-P energy: -51.197
tors. eta vs tors. theta energy: -43.930
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: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2550.677675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.677675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.677675 (E_RNA)
where:
Base-Base interactions energy: -1850.766
where: short stacking energy: -746.244
Base-Backbone interact. energy: -3.710
local terms energy: -696.201895
where:
bonds (distance) C4'-P energy: -118.778
bonds (distance) P-C4' energy: -130.484
flat angles C4'-P-C4' energy: -149.782
flat angles P-C4'-P energy: -91.797
tors. eta vs tors. theta energy: -205.361
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: 2
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2472.944721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.944721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.944721 (E_RNA)
where:
Base-Base interactions energy: -1738.362
where: short stacking energy: -717.546
Base-Backbone interact. energy: -5.541
local terms energy: -729.041386
where:
bonds (distance) C4'-P energy: -143.681
bonds (distance) P-C4' energy: -119.027
flat angles C4'-P-C4' energy: -154.578
flat angles P-C4'-P energy: -109.333
tors. eta vs tors. theta energy: -202.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2433.062332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.062332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.062332 (E_RNA)
where:
Base-Base interactions energy: -1735.596
where: short stacking energy: -703.545
Base-Backbone interact. energy: -0.132
local terms energy: -697.334095
where:
bonds (distance) C4'-P energy: -132.319
bonds (distance) P-C4' energy: -138.393
flat angles C4'-P-C4' energy: -149.550
flat angles P-C4'-P energy: -99.460
tors. eta vs tors. theta energy: -177.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -2278.337982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.337982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.337982 (E_RNA)
where:
Base-Base interactions energy: -1554.216
where: short stacking energy: -697.869
Base-Backbone interact. energy: -0.489
local terms energy: -723.633053
where:
bonds (distance) C4'-P energy: -125.878
bonds (distance) P-C4' energy: -147.152
flat angles C4'-P-C4' energy: -141.512
flat angles P-C4'-P energy: -109.183
tors. eta vs tors. theta energy: -199.908
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: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2203.936470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.936470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.936470 (E_RNA)
where:
Base-Base interactions energy: -1559.135
where: short stacking energy: -653.785
Base-Backbone interact. energy: -0.422
local terms energy: -644.379262
where:
bonds (distance) C4'-P energy: -119.173
bonds (distance) P-C4' energy: -135.429
flat angles C4'-P-C4' energy: -127.145
flat angles P-C4'-P energy: -97.678
tors. eta vs tors. theta energy: -164.954
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: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -2081.885536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.885536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.885536 (E_RNA)
where:
Base-Base interactions energy: -1438.092
where: short stacking energy: -643.120
Base-Backbone interact. energy: -0.508
local terms energy: -643.285630
where:
bonds (distance) C4'-P energy: -110.981
bonds (distance) P-C4' energy: -132.805
flat angles C4'-P-C4' energy: -134.927
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -182.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1509.571160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.571160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.571160 (E_RNA)
where:
Base-Base interactions energy: -983.749
where: short stacking energy: -446.312
Base-Backbone interact. energy: 5.571
local terms energy: -531.392586
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -126.610
flat angles C4'-P-C4' energy: -127.962
flat angles P-C4'-P energy: -81.431
tors. eta vs tors. theta energy: -84.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1506.122460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.122460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.122460 (E_RNA)
where:
Base-Base interactions energy: -1027.090
where: short stacking energy: -432.079
Base-Backbone interact. energy: 11.034
local terms energy: -490.066792
where:
bonds (distance) C4'-P energy: -118.385
bonds (distance) P-C4' energy: -123.523
flat angles C4'-P-C4' energy: -117.072
flat angles P-C4'-P energy: -61.009
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1290.643367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.643367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.643367 (E_RNA)
where:
Base-Base interactions energy: -839.336
where: short stacking energy: -361.460
Base-Backbone interact. energy: 6.265
local terms energy: -457.571848
where:
bonds (distance) C4'-P energy: -111.243
bonds (distance) P-C4' energy: -121.117
flat angles C4'-P-C4' energy: -123.516
flat angles P-C4'-P energy: -61.221
tors. eta vs tors. theta energy: -40.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -1018.464848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.464848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.464848 (E_RNA)
where:
Base-Base interactions energy: -605.351
where: short stacking energy: -303.397
Base-Backbone interact. energy: -1.520
local terms energy: -411.593742
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -103.291
flat angles C4'-P-C4' energy: -101.728
flat angles P-C4'-P energy: -74.086
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: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2558.656901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.656901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.656901 (E_RNA)
where:
Base-Base interactions energy: -1837.781
where: short stacking energy: -747.588
Base-Backbone interact. energy: -4.111
local terms energy: -716.764525
where:
bonds (distance) C4'-P energy: -131.472
bonds (distance) P-C4' energy: -132.676
flat angles C4'-P-C4' energy: -144.758
flat angles P-C4'-P energy: -106.561
tors. eta vs tors. theta energy: -201.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2505.581304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.581304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.581304 (E_RNA)
where:
Base-Base interactions energy: -1766.183
where: short stacking energy: -746.434
Base-Backbone interact. energy: -4.708
local terms energy: -734.690857
where:
bonds (distance) C4'-P energy: -131.437
bonds (distance) P-C4' energy: -143.406
flat angles C4'-P-C4' energy: -151.787
flat angles P-C4'-P energy: -100.467
tors. eta vs tors. theta energy: -207.593
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: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2460.122944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.122944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.122944 (E_RNA)
where:
Base-Base interactions energy: -1740.481
where: short stacking energy: -720.855
Base-Backbone interact. energy: -2.957
local terms energy: -716.684625
where:
bonds (distance) C4'-P energy: -115.573
bonds (distance) P-C4' energy: -140.412
flat angles C4'-P-C4' energy: -156.234
flat angles P-C4'-P energy: -96.798
tors. eta vs tors. theta energy: -207.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -2236.073910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.073910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.073910 (E_RNA)
where:
Base-Base interactions energy: -1540.036
where: short stacking energy: -686.345
Base-Backbone interact. energy: -2.745
local terms energy: -693.292428
where:
bonds (distance) C4'-P energy: -128.367
bonds (distance) P-C4' energy: -121.043
flat angles C4'-P-C4' energy: -144.163
flat angles P-C4'-P energy: -106.880
tors. eta vs tors. theta energy: -192.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2165.390980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.390980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.390980 (E_RNA)
where:
Base-Base interactions energy: -1502.990
where: short stacking energy: -619.182
Base-Backbone interact. energy: 3.089
local terms energy: -665.490156
where:
bonds (distance) C4'-P energy: -127.116
bonds (distance) P-C4' energy: -133.940
flat angles C4'-P-C4' energy: -155.957
flat angles P-C4'-P energy: -85.607
tors. eta vs tors. theta energy: -162.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -2048.027590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.027590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.027590 (E_RNA)
where:
Base-Base interactions energy: -1400.538
where: short stacking energy: -641.952
Base-Backbone interact. energy: -1.105
local terms energy: -646.384779
where:
bonds (distance) C4'-P energy: -105.711
bonds (distance) P-C4' energy: -116.543
flat angles C4'-P-C4' energy: -149.267
flat angles P-C4'-P energy: -96.506
tors. eta vs tors. theta energy: -178.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1544.353732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.353732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.353732 (E_RNA)
where:
Base-Base interactions energy: -1037.294
where: short stacking energy: -445.623
Base-Backbone interact. energy: -2.552
local terms energy: -504.508111
where:
bonds (distance) C4'-P energy: -96.438
bonds (distance) P-C4' energy: -123.239
flat angles C4'-P-C4' energy: -123.642
flat angles P-C4'-P energy: -75.526
tors. eta vs tors. theta energy: -85.663
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: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1504.072623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.072623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.072623 (E_RNA)
where:
Base-Base interactions energy: -1005.470
where: short stacking energy: -439.652
Base-Backbone interact. energy: -2.782
local terms energy: -495.820705
where:
bonds (distance) C4'-P energy: -103.908
bonds (distance) P-C4' energy: -117.502
flat angles C4'-P-C4' energy: -114.765
flat angles P-C4'-P energy: -77.300
tors. eta vs tors. theta energy: -82.345
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: 9, replica: 1
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1308.742172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.742172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.742172 (E_RNA)
where:
Base-Base interactions energy: -835.244
where: short stacking energy: -389.868
Base-Backbone interact. energy: -1.700
local terms energy: -471.798933
where:
bonds (distance) C4'-P energy: -113.902
bonds (distance) P-C4' energy: -111.145
flat angles C4'-P-C4' energy: -128.084
flat angles P-C4'-P energy: -68.496
tors. eta vs tors. theta energy: -50.172
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: 10, replica: 8
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -1008.327384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.327384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.327384 (E_RNA)
where:
Base-Base interactions energy: -585.637
where: short stacking energy: -290.522
Base-Backbone interact. energy: -0.520
local terms energy: -422.171047
where:
bonds (distance) C4'-P energy: -99.852
bonds (distance) P-C4' energy: -110.381
flat angles C4'-P-C4' energy: -106.937
flat angles P-C4'-P energy: -77.937
tors. eta vs tors. theta energy: -27.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2546.445495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.445495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.445495 (E_RNA)
where:
Base-Base interactions energy: -1833.713
where: short stacking energy: -753.873
Base-Backbone interact. energy: -2.387
local terms energy: -710.345471
where:
bonds (distance) C4'-P energy: -135.946
bonds (distance) P-C4' energy: -132.388
flat angles C4'-P-C4' energy: -141.288
flat angles P-C4'-P energy: -105.601
tors. eta vs tors. theta energy: -195.122
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: 223
Temperature: 0.950000
Total energy: -2518.244216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.244216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.244216 (E_RNA)
where:
Base-Base interactions energy: -1763.097
where: short stacking energy: -717.834
Base-Backbone interact. energy: -2.955
local terms energy: -752.191597
where:
bonds (distance) C4'-P energy: -130.598
bonds (distance) P-C4' energy: -146.582
flat angles C4'-P-C4' energy: -167.546
flat angles P-C4'-P energy: -98.860
tors. eta vs tors. theta energy: -208.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2413.706804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.706804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.706804 (E_RNA)
where:
Base-Base interactions energy: -1674.876
where: short stacking energy: -700.163
Base-Backbone interact. energy: -1.571
local terms energy: -737.260020
where:
bonds (distance) C4'-P energy: -120.622
bonds (distance) P-C4' energy: -150.468
flat angles C4'-P-C4' energy: -160.683
flat angles P-C4'-P energy: -105.081
tors. eta vs tors. theta energy: -200.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2289.470877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.470877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.470877 (E_RNA)
where:
Base-Base interactions energy: -1601.800
where: short stacking energy: -708.011
Base-Backbone interact. energy: -1.192
local terms energy: -686.478668
where:
bonds (distance) C4'-P energy: -108.210
bonds (distance) P-C4' energy: -115.042
flat angles C4'-P-C4' energy: -151.171
flat angles P-C4'-P energy: -100.966
tors. eta vs tors. theta energy: -211.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2216.210758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.210758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.210758 (E_RNA)
where:
Base-Base interactions energy: -1534.730
where: short stacking energy: -651.972
Base-Backbone interact. energy: -3.171
local terms energy: -678.309000
where:
bonds (distance) C4'-P energy: -123.490
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -150.455
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -192.667
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: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -2062.775538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.775538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.775538 (E_RNA)
where:
Base-Base interactions energy: -1422.162
where: short stacking energy: -609.597
Base-Backbone interact. energy: -1.898
local terms energy: -638.715519
where:
bonds (distance) C4'-P energy: -124.887
bonds (distance) P-C4' energy: -109.368
flat angles C4'-P-C4' energy: -140.870
flat angles P-C4'-P energy: -86.856
tors. eta vs tors. theta energy: -176.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1514.871482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.871482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.871482 (E_RNA)
where:
Base-Base interactions energy: -1010.415
where: short stacking energy: -419.194
Base-Backbone interact. energy: -2.190
local terms energy: -502.267280
where:
bonds (distance) C4'-P energy: -112.799
bonds (distance) P-C4' energy: -127.215
flat angles C4'-P-C4' energy: -132.405
flat angles P-C4'-P energy: -59.870
tors. eta vs tors. theta energy: -69.979
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: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1498.328466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.328466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.328466 (E_RNA)
where:
Base-Base interactions energy: -998.370
where: short stacking energy: -441.809
Base-Backbone interact. energy: -2.455
local terms energy: -497.504082
where:
bonds (distance) C4'-P energy: -102.338
bonds (distance) P-C4' energy: -116.646
flat angles C4'-P-C4' energy: -128.413
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -76.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1277.039813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.039813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.039813 (E_RNA)
where:
Base-Base interactions energy: -794.335
where: short stacking energy: -356.896
Base-Backbone interact. energy: -0.397
local terms energy: -482.308255
where:
bonds (distance) C4'-P energy: -108.963
bonds (distance) P-C4' energy: -142.993
flat angles C4'-P-C4' energy: -109.631
flat angles P-C4'-P energy: -67.737
tors. eta vs tors. theta energy: -52.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -1037.753982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.753982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.753982 (E_RNA)
where:
Base-Base interactions energy: -620.356
where: short stacking energy: -315.414
Base-Backbone interact. energy: 6.883
local terms energy: -424.280091
where:
bonds (distance) C4'-P energy: -89.905
bonds (distance) P-C4' energy: -121.075
flat angles C4'-P-C4' energy: -105.395
flat angles P-C4'-P energy: -72.772
tors. eta vs tors. theta energy: -35.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2568.302249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.302249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.302249 (E_RNA)
where:
Base-Base interactions energy: -1829.910
where: short stacking energy: -754.287
Base-Backbone interact. energy: 0.848
local terms energy: -739.240739
where:
bonds (distance) C4'-P energy: -135.974
bonds (distance) P-C4' energy: -139.582
flat angles C4'-P-C4' energy: -164.006
flat angles P-C4'-P energy: -101.302
tors. eta vs tors. theta energy: -198.377
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: 224
Temperature: 0.950000
Total energy: -2494.968020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.968020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.968020 (E_RNA)
where:
Base-Base interactions energy: -1738.925
where: short stacking energy: -716.180
Base-Backbone interact. energy: -4.463
local terms energy: -751.580460
where:
bonds (distance) C4'-P energy: -135.536
bonds (distance) P-C4' energy: -139.990
flat angles C4'-P-C4' energy: -161.983
flat angles P-C4'-P energy: -106.180
tors. eta vs tors. theta energy: -207.893
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2385.971688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.971688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.971688 (E_RNA)
where:
Base-Base interactions energy: -1712.933
where: short stacking energy: -719.796
Base-Backbone interact. energy: 1.262
local terms energy: -674.300914
where:
bonds (distance) C4'-P energy: -123.372
bonds (distance) P-C4' energy: -108.303
flat angles C4'-P-C4' energy: -148.380
flat angles P-C4'-P energy: -101.174
tors. eta vs tors. theta energy: -193.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2287.854369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.854369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.854369 (E_RNA)
where:
Base-Base interactions energy: -1573.139
where: short stacking energy: -702.107
Base-Backbone interact. energy: -0.593
local terms energy: -714.121948
where:
bonds (distance) C4'-P energy: -128.762
bonds (distance) P-C4' energy: -130.051
flat angles C4'-P-C4' energy: -149.741
flat angles P-C4'-P energy: -94.915
tors. eta vs tors. theta energy: -210.653
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: 5, replica: 6
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2192.317672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.317672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.317672 (E_RNA)
where:
Base-Base interactions energy: -1514.694
where: short stacking energy: -661.070
Base-Backbone interact. energy: -4.045
local terms energy: -673.578408
where:
bonds (distance) C4'-P energy: -140.792
bonds (distance) P-C4' energy: -120.318
flat angles C4'-P-C4' energy: -138.908
flat angles P-C4'-P energy: -89.852
tors. eta vs tors. theta energy: -183.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -2046.678746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.678746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.678746 (E_RNA)
where:
Base-Base interactions energy: -1391.068
where: short stacking energy: -627.446
Base-Backbone interact. energy: -0.130
local terms energy: -655.480984
where:
bonds (distance) C4'-P energy: -112.438
bonds (distance) P-C4' energy: -131.432
flat angles C4'-P-C4' energy: -150.177
flat angles P-C4'-P energy: -91.970
tors. eta vs tors. theta energy: -169.464
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: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1563.143180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.143180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.143180 (E_RNA)
where:
Base-Base interactions energy: -1038.297
where: short stacking energy: -485.075
Base-Backbone interact. energy: 2.625
local terms energy: -527.470201
where:
bonds (distance) C4'-P energy: -114.220
bonds (distance) P-C4' energy: -131.154
flat angles C4'-P-C4' energy: -100.783
flat angles P-C4'-P energy: -78.288
tors. eta vs tors. theta energy: -103.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1560.437972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.437972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.437972 (E_RNA)
where:
Base-Base interactions energy: -1018.645
where: short stacking energy: -421.222
Base-Backbone interact. energy: -3.482
local terms energy: -538.310275
where:
bonds (distance) C4'-P energy: -120.273
bonds (distance) P-C4' energy: -122.897
flat angles C4'-P-C4' energy: -137.701
flat angles P-C4'-P energy: -58.491
tors. eta vs tors. theta energy: -98.949
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: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1269.116026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.116026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.116026 (E_RNA)
where:
Base-Base interactions energy: -800.594
where: short stacking energy: -374.557
Base-Backbone interact. energy: -0.022
local terms energy: -468.500019
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -97.790
flat angles C4'-P-C4' energy: -134.230
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -57.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -974.067357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.067357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.067357 (E_RNA)
where:
Base-Base interactions energy: -571.426
where: short stacking energy: -293.507
Base-Backbone interact. energy: 3.341
local terms energy: -405.982410
where:
bonds (distance) C4'-P energy: -108.348
bonds (distance) P-C4' energy: -104.252
flat angles C4'-P-C4' energy: -106.626
flat angles P-C4'-P energy: -51.849
tors. eta vs tors. theta energy: -34.908
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: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2567.835293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.835293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.835293 (E_RNA)
where:
Base-Base interactions energy: -1822.508
where: short stacking energy: -737.599
Base-Backbone interact. energy: -5.803
local terms energy: -739.524431
where:
bonds (distance) C4'-P energy: -125.834
bonds (distance) P-C4' energy: -145.187
flat angles C4'-P-C4' energy: -159.798
flat angles P-C4'-P energy: -102.699
tors. eta vs tors. theta energy: -206.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2466.258533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.258533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.258533 (E_RNA)
where:
Base-Base interactions energy: -1718.447
where: short stacking energy: -709.650
Base-Backbone interact. energy: -3.103
local terms energy: -744.708270
where:
bonds (distance) C4'-P energy: -141.634
bonds (distance) P-C4' energy: -135.689
flat angles C4'-P-C4' energy: -156.217
flat angles P-C4'-P energy: -109.803
tors. eta vs tors. theta energy: -201.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2376.891340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.891340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.891340 (E_RNA)
where:
Base-Base interactions energy: -1699.771
where: short stacking energy: -697.557
Base-Backbone interact. energy: 1.077
local terms energy: -678.197589
where:
bonds (distance) C4'-P energy: -112.336
bonds (distance) P-C4' energy: -137.323
flat angles C4'-P-C4' energy: -152.139
flat angles P-C4'-P energy: -96.739
tors. eta vs tors. theta energy: -179.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2253.272930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.272930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.272930 (E_RNA)
where:
Base-Base interactions energy: -1528.182
where: short stacking energy: -697.033
Base-Backbone interact. energy: -1.454
local terms energy: -723.637227
where:
bonds (distance) C4'-P energy: -122.573
bonds (distance) P-C4' energy: -139.910
flat angles C4'-P-C4' energy: -144.626
flat angles P-C4'-P energy: -102.507
tors. eta vs tors. theta energy: -214.021
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: 6
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2248.052607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.052607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.052607 (E_RNA)
where:
Base-Base interactions energy: -1549.025
where: short stacking energy: -680.857
Base-Backbone interact. energy: -6.191
local terms energy: -692.836236
where:
bonds (distance) C4'-P energy: -140.927
bonds (distance) P-C4' energy: -113.793
flat angles C4'-P-C4' energy: -152.695
flat angles P-C4'-P energy: -94.181
tors. eta vs tors. theta energy: -191.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -2023.275584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.275584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.275584 (E_RNA)
where:
Base-Base interactions energy: -1370.677
where: short stacking energy: -632.605
Base-Backbone interact. energy: -1.233
local terms energy: -651.366240
where:
bonds (distance) C4'-P energy: -125.131
bonds (distance) P-C4' energy: -123.699
flat angles C4'-P-C4' energy: -141.709
flat angles P-C4'-P energy: -91.201
tors. eta vs tors. theta energy: -169.627
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: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1584.028122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.028122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.028122 (E_RNA)
where:
Base-Base interactions energy: -1073.370
where: short stacking energy: -481.430
Base-Backbone interact. energy: -3.660
local terms energy: -506.998315
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -114.916
flat angles C4'-P-C4' energy: -121.796
flat angles P-C4'-P energy: -96.200
tors. eta vs tors. theta energy: -78.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1441.597887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.597887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.597887 (E_RNA)
where:
Base-Base interactions energy: -930.082
where: short stacking energy: -409.292
Base-Backbone interact. energy: -2.509
local terms energy: -509.007011
where:
bonds (distance) C4'-P energy: -114.773
bonds (distance) P-C4' energy: -130.521
flat angles C4'-P-C4' energy: -113.043
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -83.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1281.363636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.363636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.363636 (E_RNA)
where:
Base-Base interactions energy: -840.461
where: short stacking energy: -369.713
Base-Backbone interact. energy: 6.902
local terms energy: -447.804686
where:
bonds (distance) C4'-P energy: -107.556
bonds (distance) P-C4' energy: -100.408
flat angles C4'-P-C4' energy: -112.039
flat angles P-C4'-P energy: -71.638
tors. eta vs tors. theta energy: -56.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -1001.598023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.598023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.598023 (E_RNA)
where:
Base-Base interactions energy: -597.847
where: short stacking energy: -285.116
Base-Backbone interact. energy: -2.158
local terms energy: -401.592900
where:
bonds (distance) C4'-P energy: -108.786
bonds (distance) P-C4' energy: -114.495
flat angles C4'-P-C4' energy: -96.926
flat angles P-C4'-P energy: -45.271
tors. eta vs tors. theta energy: -36.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2566.223185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.223185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.223185 (E_RNA)
where:
Base-Base interactions energy: -1815.877
where: short stacking energy: -734.037
Base-Backbone interact. energy: -1.741
local terms energy: -748.604903
where:
bonds (distance) C4'-P energy: -140.499
bonds (distance) P-C4' energy: -144.450
flat angles C4'-P-C4' energy: -155.749
flat angles P-C4'-P energy: -103.761
tors. eta vs tors. theta energy: -204.146
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: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2466.050932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.050932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.050932 (E_RNA)
where:
Base-Base interactions energy: -1750.908
where: short stacking energy: -727.939
Base-Backbone interact. energy: 0.989
local terms energy: -716.131641
where:
bonds (distance) C4'-P energy: -127.642
bonds (distance) P-C4' energy: -134.336
flat angles C4'-P-C4' energy: -158.612
flat angles P-C4'-P energy: -88.706
tors. eta vs tors. theta energy: -206.835
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: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2388.587227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.587227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.587227 (E_RNA)
where:
Base-Base interactions energy: -1697.600
where: short stacking energy: -699.547
Base-Backbone interact. energy: -3.647
local terms energy: -687.340855
where:
bonds (distance) C4'-P energy: -118.529
bonds (distance) P-C4' energy: -131.588
flat angles C4'-P-C4' energy: -153.183
flat angles P-C4'-P energy: -100.185
tors. eta vs tors. theta energy: -183.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2274.289926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.289926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.289926 (E_RNA)
where:
Base-Base interactions energy: -1576.970
where: short stacking energy: -728.399
Base-Backbone interact. energy: 1.571
local terms energy: -698.891068
where:
bonds (distance) C4'-P energy: -115.636
bonds (distance) P-C4' energy: -136.373
flat angles C4'-P-C4' energy: -146.425
flat angles P-C4'-P energy: -93.375
tors. eta vs tors. theta energy: -207.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2195.070921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.070921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.070921 (E_RNA)
where:
Base-Base interactions energy: -1517.736
where: short stacking energy: -656.268
Base-Backbone interact. energy: -2.188
local terms energy: -675.147238
where:
bonds (distance) C4'-P energy: -115.835
bonds (distance) P-C4' energy: -126.533
flat angles C4'-P-C4' energy: -149.359
flat angles P-C4'-P energy: -105.312
tors. eta vs tors. theta energy: -178.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1999.279623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.279623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.279623 (E_RNA)
where:
Base-Base interactions energy: -1359.630
where: short stacking energy: -586.151
Base-Backbone interact. energy: -0.703
local terms energy: -638.947489
where:
bonds (distance) C4'-P energy: -126.907
bonds (distance) P-C4' energy: -117.751
flat angles C4'-P-C4' energy: -133.200
flat angles P-C4'-P energy: -90.923
tors. eta vs tors. theta energy: -170.166
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: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1503.671449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.671449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.671449 (E_RNA)
where:
Base-Base interactions energy: -967.609
where: short stacking energy: -413.939
Base-Backbone interact. energy: -4.483
local terms energy: -531.579319
where:
bonds (distance) C4'-P energy: -107.833
bonds (distance) P-C4' energy: -130.784
flat angles C4'-P-C4' energy: -130.561
flat angles P-C4'-P energy: -79.846
tors. eta vs tors. theta energy: -82.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1444.457113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.457113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.457113 (E_RNA)
where:
Base-Base interactions energy: -971.860
where: short stacking energy: -442.295
Base-Backbone interact. energy: -2.988
local terms energy: -469.608753
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -114.960
flat angles C4'-P-C4' energy: -122.304
flat angles P-C4'-P energy: -75.263
tors. eta vs tors. theta energy: -61.816
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: 1
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -1333.451665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.451665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.451665 (E_RNA)
where:
Base-Base interactions energy: -884.091
where: short stacking energy: -396.912
Base-Backbone interact. energy: -2.443
local terms energy: -446.917331
where:
bonds (distance) C4'-P energy: -112.071
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -107.996
flat angles P-C4'-P energy: -59.861
tors. eta vs tors. theta energy: -58.930
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -1129.356792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.356792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.356792 (E_RNA)
where:
Base-Base interactions energy: -689.300
where: short stacking energy: -345.914
Base-Backbone interact. energy: 4.183
local terms energy: -444.240275
where:
bonds (distance) C4'-P energy: -96.877
bonds (distance) P-C4' energy: -112.264
flat angles C4'-P-C4' energy: -115.819
flat angles P-C4'-P energy: -72.771
tors. eta vs tors. theta energy: -46.510
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: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2565.989588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.989588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.989588 (E_RNA)
where:
Base-Base interactions energy: -1818.092
where: short stacking energy: -759.706
Base-Backbone interact. energy: -4.475
local terms energy: -743.422348
where:
bonds (distance) C4'-P energy: -123.441
bonds (distance) P-C4' energy: -156.790
flat angles C4'-P-C4' energy: -157.460
flat angles P-C4'-P energy: -101.726
tors. eta vs tors. theta energy: -204.005
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: 227
Temperature: 0.950000
Total energy: -2485.650603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.650603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.650603 (E_RNA)
where:
Base-Base interactions energy: -1740.877
where: short stacking energy: -744.200
Base-Backbone interact. energy: -3.087
local terms energy: -741.686621
where:
bonds (distance) C4'-P energy: -140.938
bonds (distance) P-C4' energy: -131.614
flat angles C4'-P-C4' energy: -146.941
flat angles P-C4'-P energy: -99.849
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2433.135119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.135119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.135119 (E_RNA)
where:
Base-Base interactions energy: -1744.009
where: short stacking energy: -707.260
Base-Backbone interact. energy: 10.040
local terms energy: -699.166130
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -129.973
flat angles C4'-P-C4' energy: -155.029
flat angles P-C4'-P energy: -99.107
tors. eta vs tors. theta energy: -189.309
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: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2227.977767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.977767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.977767 (E_RNA)
where:
Base-Base interactions energy: -1540.071
where: short stacking energy: -683.261
Base-Backbone interact. energy: -1.388
local terms energy: -686.518845
where:
bonds (distance) C4'-P energy: -115.158
bonds (distance) P-C4' energy: -116.973
flat angles C4'-P-C4' energy: -153.365
flat angles P-C4'-P energy: -108.403
tors. eta vs tors. theta energy: -192.619
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2188.526103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.526103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.526103 (E_RNA)
where:
Base-Base interactions energy: -1547.570
where: short stacking energy: -656.636
Base-Backbone interact. energy: -3.915
local terms energy: -637.041436
where:
bonds (distance) C4'-P energy: -115.271
bonds (distance) P-C4' energy: -135.860
flat angles C4'-P-C4' energy: -133.468
flat angles P-C4'-P energy: -81.895
tors. eta vs tors. theta energy: -170.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -2022.983834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.983834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.983834 (E_RNA)
where:
Base-Base interactions energy: -1368.853
where: short stacking energy: -596.917
Base-Backbone interact. energy: -2.513
local terms energy: -651.617513
where:
bonds (distance) C4'-P energy: -137.910
bonds (distance) P-C4' energy: -135.282
flat angles C4'-P-C4' energy: -127.768
flat angles P-C4'-P energy: -85.326
tors. eta vs tors. theta energy: -165.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1538.448436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.448436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.448436 (E_RNA)
where:
Base-Base interactions energy: -1011.644
where: short stacking energy: -448.250
Base-Backbone interact. energy: -3.346
local terms energy: -523.457888
where:
bonds (distance) C4'-P energy: -129.787
bonds (distance) P-C4' energy: -115.993
flat angles C4'-P-C4' energy: -121.986
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -86.205
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: 4
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1473.995078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.995078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.995078 (E_RNA)
where:
Base-Base interactions energy: -951.362
where: short stacking energy: -449.386
Base-Backbone interact. energy: 0.494
local terms energy: -523.127058
where:
bonds (distance) C4'-P energy: -116.418
bonds (distance) P-C4' energy: -117.669
flat angles C4'-P-C4' energy: -114.389
flat angles P-C4'-P energy: -77.917
tors. eta vs tors. theta energy: -96.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -1317.096691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.096691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.096691 (E_RNA)
where:
Base-Base interactions energy: -833.743
where: short stacking energy: -405.463
Base-Backbone interact. energy: 1.801
local terms energy: -485.155161
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -126.464
flat angles C4'-P-C4' energy: -121.130
flat angles P-C4'-P energy: -65.615
tors. eta vs tors. theta energy: -64.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -1142.289327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.289327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.289327 (E_RNA)
where:
Base-Base interactions energy: -688.939
where: short stacking energy: -324.882
Base-Backbone interact. energy: -1.067
local terms energy: -452.282832
where:
bonds (distance) C4'-P energy: -108.497
bonds (distance) P-C4' energy: -107.983
flat angles C4'-P-C4' energy: -102.415
flat angles P-C4'-P energy: -65.501
tors. eta vs tors. theta energy: -67.887
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: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2553.924049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.924049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.924049 (E_RNA)
where:
Base-Base interactions energy: -1805.065
where: short stacking energy: -760.567
Base-Backbone interact. energy: -1.528
local terms energy: -747.330671
where:
bonds (distance) C4'-P energy: -141.964
bonds (distance) P-C4' energy: -140.908
flat angles C4'-P-C4' energy: -158.891
flat angles P-C4'-P energy: -110.865
tors. eta vs tors. theta energy: -194.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2515.484491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.484491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.484491 (E_RNA)
where:
Base-Base interactions energy: -1768.130
where: short stacking energy: -739.683
Base-Backbone interact. energy: -2.715
local terms energy: -744.639755
where:
bonds (distance) C4'-P energy: -130.976
bonds (distance) P-C4' energy: -141.831
flat angles C4'-P-C4' energy: -162.100
flat angles P-C4'-P energy: -95.415
tors. eta vs tors. theta energy: -214.318
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: 3, replica: 7
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2438.411351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.411351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.411351 (E_RNA)
where:
Base-Base interactions energy: -1723.924
where: short stacking energy: -703.453
Base-Backbone interact. energy: -1.253
local terms energy: -713.234912
where:
bonds (distance) C4'-P energy: -137.287
bonds (distance) P-C4' energy: -134.478
flat angles C4'-P-C4' energy: -156.713
flat angles P-C4'-P energy: -95.894
tors. eta vs tors. theta energy: -188.863
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: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2270.845211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.845211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.845211 (E_RNA)
where:
Base-Base interactions energy: -1546.576
where: short stacking energy: -699.307
Base-Backbone interact. energy: -1.972
local terms energy: -722.297443
where:
bonds (distance) C4'-P energy: -119.306
bonds (distance) P-C4' energy: -132.785
flat angles C4'-P-C4' energy: -149.017
flat angles P-C4'-P energy: -108.024
tors. eta vs tors. theta energy: -213.166
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: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2173.784811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.784811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.784811 (E_RNA)
where:
Base-Base interactions energy: -1527.543
where: short stacking energy: -641.332
Base-Backbone interact. energy: 0.771
local terms energy: -647.012890
where:
bonds (distance) C4'-P energy: -125.151
bonds (distance) P-C4' energy: -123.999
flat angles C4'-P-C4' energy: -144.447
flat angles P-C4'-P energy: -92.804
tors. eta vs tors. theta energy: -160.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -2014.330260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.330260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.330260 (E_RNA)
where:
Base-Base interactions energy: -1363.258
where: short stacking energy: -614.986
Base-Backbone interact. energy: -0.932
local terms energy: -650.140247
where:
bonds (distance) C4'-P energy: -113.261
bonds (distance) P-C4' energy: -115.967
flat angles C4'-P-C4' energy: -156.787
flat angles P-C4'-P energy: -92.024
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: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1461.837290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.837290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.837290 (E_RNA)
where:
Base-Base interactions energy: -936.832
where: short stacking energy: -438.351
Base-Backbone interact. energy: -1.609
local terms energy: -523.396103
where:
bonds (distance) C4'-P energy: -120.249
bonds (distance) P-C4' energy: -123.096
flat angles C4'-P-C4' energy: -111.875
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -78.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1551.280614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.280614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.280614 (E_RNA)
where:
Base-Base interactions energy: -1044.865
where: short stacking energy: -489.467
Base-Backbone interact. energy: -1.772
local terms energy: -504.643291
where:
bonds (distance) C4'-P energy: -103.281
bonds (distance) P-C4' energy: -99.059
flat angles C4'-P-C4' energy: -130.330
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -103.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -1378.215832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.215832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.215832 (E_RNA)
where:
Base-Base interactions energy: -908.137
where: short stacking energy: -391.756
Base-Backbone interact. energy: -1.094
local terms energy: -468.984269
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -102.027
flat angles C4'-P-C4' energy: -122.388
flat angles P-C4'-P energy: -78.718
tors. eta vs tors. theta energy: -66.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -1146.339496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.339496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.339496 (E_RNA)
where:
Base-Base interactions energy: -736.811
where: short stacking energy: -312.543
Base-Backbone interact. energy: 0.436
local terms energy: -409.964370
where:
bonds (distance) C4'-P energy: -90.031
bonds (distance) P-C4' energy: -117.071
flat angles C4'-P-C4' energy: -94.764
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -42.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2548.584924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.584924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.584924 (E_RNA)
where:
Base-Base interactions energy: -1810.422
where: short stacking energy: -747.249
Base-Backbone interact. energy: -2.047
local terms energy: -736.116137
where:
bonds (distance) C4'-P energy: -134.856
bonds (distance) P-C4' energy: -138.068
flat angles C4'-P-C4' energy: -150.813
flat angles P-C4'-P energy: -111.448
tors. eta vs tors. theta energy: -200.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2522.295277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.295277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.295277 (E_RNA)
where:
Base-Base interactions energy: -1785.052
where: short stacking energy: -743.404
Base-Backbone interact. energy: -2.155
local terms energy: -735.088227
where:
bonds (distance) C4'-P energy: -134.827
bonds (distance) P-C4' energy: -125.555
flat angles C4'-P-C4' energy: -148.047
flat angles P-C4'-P energy: -113.341
tors. eta vs tors. theta energy: -213.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -2432.788277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.788277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.788277 (E_RNA)
where:
Base-Base interactions energy: -1724.843
where: short stacking energy: -702.309
Base-Backbone interact. energy: -0.781
local terms energy: -707.164260
where:
bonds (distance) C4'-P energy: -124.983
bonds (distance) P-C4' energy: -140.081
flat angles C4'-P-C4' energy: -143.438
flat angles P-C4'-P energy: -108.762
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: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2239.741823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.741823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.741823 (E_RNA)
where:
Base-Base interactions energy: -1541.201
where: short stacking energy: -688.833
Base-Backbone interact. energy: 1.810
local terms energy: -700.350904
where:
bonds (distance) C4'-P energy: -139.154
bonds (distance) P-C4' energy: -118.893
flat angles C4'-P-C4' energy: -144.496
flat angles P-C4'-P energy: -95.838
tors. eta vs tors. theta energy: -201.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -2175.923037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.923037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.923037 (E_RNA)
where:
Base-Base interactions energy: -1527.079
where: short stacking energy: -667.905
Base-Backbone interact. energy: -2.319
local terms energy: -646.525508
where:
bonds (distance) C4'-P energy: -123.029
bonds (distance) P-C4' energy: -107.794
flat angles C4'-P-C4' energy: -146.630
flat angles P-C4'-P energy: -94.712
tors. eta vs tors. theta energy: -174.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -2073.586994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.586994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.586994 (E_RNA)
where:
Base-Base interactions energy: -1401.802
where: short stacking energy: -617.011
Base-Backbone interact. energy: -1.821
local terms energy: -669.963268
where:
bonds (distance) C4'-P energy: -124.157
bonds (distance) P-C4' energy: -129.065
flat angles C4'-P-C4' energy: -140.563
flat angles P-C4'-P energy: -99.748
tors. eta vs tors. theta energy: -176.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1517.219554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.219554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.219554 (E_RNA)
where:
Base-Base interactions energy: -987.424
where: short stacking energy: -463.557
Base-Backbone interact. energy: -1.137
local terms energy: -528.658716
where:
bonds (distance) C4'-P energy: -104.874
bonds (distance) P-C4' energy: -123.747
flat angles C4'-P-C4' energy: -127.482
flat angles P-C4'-P energy: -76.035
tors. eta vs tors. theta energy: -96.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1548.268797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.268797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.268797 (E_RNA)
where:
Base-Base interactions energy: -1026.008
where: short stacking energy: -482.990
Base-Backbone interact. energy: -2.501
local terms energy: -519.760536
where:
bonds (distance) C4'-P energy: -110.333
bonds (distance) P-C4' energy: -114.290
flat angles C4'-P-C4' energy: -108.684
flat angles P-C4'-P energy: -82.817
tors. eta vs tors. theta energy: -103.637
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: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -1300.185246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.185246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.185246 (E_RNA)
where:
Base-Base interactions energy: -848.789
where: short stacking energy: -385.631
Base-Backbone interact. energy: 1.685
local terms energy: -453.081035
where:
bonds (distance) C4'-P energy: -89.080
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -117.919
flat angles P-C4'-P energy: -79.610
tors. eta vs tors. theta energy: -55.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -1058.420989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.420989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.420989 (E_RNA)
where:
Base-Base interactions energy: -666.356
where: short stacking energy: -321.052
Base-Backbone interact. energy: 5.360
local terms energy: -397.425693
where:
bonds (distance) C4'-P energy: -123.740
bonds (distance) P-C4' energy: -90.020
flat angles C4'-P-C4' energy: -104.618
flat angles P-C4'-P energy: -52.562
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2555.319099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.319099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.319099 (E_RNA)
where:
Base-Base interactions energy: -1843.154
where: short stacking energy: -772.570
Base-Backbone interact. energy: -5.108
local terms energy: -707.057055
where:
bonds (distance) C4'-P energy: -123.842
bonds (distance) P-C4' energy: -132.710
flat angles C4'-P-C4' energy: -150.054
flat angles P-C4'-P energy: -94.743
tors. eta vs tors. theta energy: -205.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2544.726988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.726988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.726988 (E_RNA)
where:
Base-Base interactions energy: -1767.989
where: short stacking energy: -742.098
Base-Backbone interact. energy: -4.452
local terms energy: -772.286189
where:
bonds (distance) C4'-P energy: -151.963
bonds (distance) P-C4' energy: -154.311
flat angles C4'-P-C4' energy: -151.263
flat angles P-C4'-P energy: -106.558
tors. eta vs tors. theta energy: -208.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2436.574241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.574241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.574241 (E_RNA)
where:
Base-Base interactions energy: -1725.552
where: short stacking energy: -697.685
Base-Backbone interact. energy: -1.640
local terms energy: -709.381793
where:
bonds (distance) C4'-P energy: -127.893
bonds (distance) P-C4' energy: -124.008
flat angles C4'-P-C4' energy: -163.818
flat angles P-C4'-P energy: -98.960
tors. eta vs tors. theta energy: -194.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2239.774017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.774017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.774017 (E_RNA)
where:
Base-Base interactions energy: -1546.118
where: short stacking energy: -695.469
Base-Backbone interact. energy: -2.621
local terms energy: -691.035337
where:
bonds (distance) C4'-P energy: -119.913
bonds (distance) P-C4' energy: -137.659
flat angles C4'-P-C4' energy: -143.629
flat angles P-C4'-P energy: -89.581
tors. eta vs tors. theta energy: -200.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -2202.043562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.043562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.043562 (E_RNA)
where:
Base-Base interactions energy: -1563.518
where: short stacking energy: -667.155
Base-Backbone interact. energy: 0.256
local terms energy: -638.781322
where:
bonds (distance) C4'-P energy: -105.358
bonds (distance) P-C4' energy: -134.927
flat angles C4'-P-C4' energy: -120.533
flat angles P-C4'-P energy: -103.944
tors. eta vs tors. theta energy: -174.020
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: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -2080.689558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.689558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.689558 (E_RNA)
where:
Base-Base interactions energy: -1458.071
where: short stacking energy: -626.722
Base-Backbone interact. energy: -1.412
local terms energy: -621.206597
where:
bonds (distance) C4'-P energy: -113.650
bonds (distance) P-C4' energy: -108.577
flat angles C4'-P-C4' energy: -132.904
flat angles P-C4'-P energy: -92.493
tors. eta vs tors. theta energy: -173.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1507.691238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.691238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.691238 (E_RNA)
where:
Base-Base interactions energy: -996.015
where: short stacking energy: -453.359
Base-Backbone interact. energy: -2.480
local terms energy: -509.195637
where:
bonds (distance) C4'-P energy: -107.056
bonds (distance) P-C4' energy: -128.329
flat angles C4'-P-C4' energy: -131.000
flat angles P-C4'-P energy: -65.438
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: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1463.553057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.553057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.553057 (E_RNA)
where:
Base-Base interactions energy: -968.914
where: short stacking energy: -435.382
Base-Backbone interact. energy: -1.516
local terms energy: -493.122835
where:
bonds (distance) C4'-P energy: -97.266
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -128.721
flat angles P-C4'-P energy: -67.071
tors. eta vs tors. theta energy: -88.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1324.581775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.581775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.581775 (E_RNA)
where:
Base-Base interactions energy: -841.853
where: short stacking energy: -383.257
Base-Backbone interact. energy: -2.598
local terms energy: -480.130131
where:
bonds (distance) C4'-P energy: -117.321
bonds (distance) P-C4' energy: -127.971
flat angles C4'-P-C4' energy: -122.614
flat angles P-C4'-P energy: -59.134
tors. eta vs tors. theta energy: -53.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1046.600089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.600089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.600089 (E_RNA)
where:
Base-Base interactions energy: -620.447
where: short stacking energy: -283.387
Base-Backbone interact. energy: -1.264
local terms energy: -424.889308
where:
bonds (distance) C4'-P energy: -88.837
bonds (distance) P-C4' energy: -125.590
flat angles C4'-P-C4' energy: -120.311
flat angles P-C4'-P energy: -71.565
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2552.066660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.066660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.066660 (E_RNA)
where:
Base-Base interactions energy: -1829.234
where: short stacking energy: -742.598
Base-Backbone interact. energy: -4.345
local terms energy: -718.488030
where:
bonds (distance) C4'-P energy: -145.005
bonds (distance) P-C4' energy: -134.090
flat angles C4'-P-C4' energy: -144.960
flat angles P-C4'-P energy: -95.395
tors. eta vs tors. theta energy: -199.038
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: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2508.266837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.266837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.266837 (E_RNA)
where:
Base-Base interactions energy: -1755.753
where: short stacking energy: -759.693
Base-Backbone interact. energy: -4.136
local terms energy: -748.378328
where:
bonds (distance) C4'-P energy: -139.977
bonds (distance) P-C4' energy: -136.200
flat angles C4'-P-C4' energy: -159.753
flat angles P-C4'-P energy: -99.037
tors. eta vs tors. theta energy: -213.411
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: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2457.694835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.694835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.694835 (E_RNA)
where:
Base-Base interactions energy: -1763.817
where: short stacking energy: -721.656
Base-Backbone interact. energy: -0.011
local terms energy: -693.866310
where:
bonds (distance) C4'-P energy: -121.782
bonds (distance) P-C4' energy: -125.907
flat angles C4'-P-C4' energy: -156.062
flat angles P-C4'-P energy: -98.384
tors. eta vs tors. theta energy: -191.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2228.638416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.638416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.638416 (E_RNA)
where:
Base-Base interactions energy: -1516.253
where: short stacking energy: -699.882
Base-Backbone interact. energy: -1.999
local terms energy: -710.386246
where:
bonds (distance) C4'-P energy: -122.128
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -151.295
flat angles P-C4'-P energy: -98.174
tors. eta vs tors. theta energy: -204.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -2217.600099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.600099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.600099 (E_RNA)
where:
Base-Base interactions energy: -1538.984
where: short stacking energy: -645.572
Base-Backbone interact. energy: -3.083
local terms energy: -675.533622
where:
bonds (distance) C4'-P energy: -103.642
bonds (distance) P-C4' energy: -130.370
flat angles C4'-P-C4' energy: -156.333
flat angles P-C4'-P energy: -100.233
tors. eta vs tors. theta energy: -184.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -2029.262504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.262504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.262504 (E_RNA)
where:
Base-Base interactions energy: -1391.949
where: short stacking energy: -626.596
Base-Backbone interact. energy: -1.308
local terms energy: -636.006081
where:
bonds (distance) C4'-P energy: -116.969
bonds (distance) P-C4' energy: -118.066
flat angles C4'-P-C4' energy: -131.015
flat angles P-C4'-P energy: -95.717
tors. eta vs tors. theta energy: -174.239
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: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1548.122970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.122970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.122970 (E_RNA)
where:
Base-Base interactions energy: -993.632
where: short stacking energy: -457.150
Base-Backbone interact. energy: -0.544
local terms energy: -553.946379
where:
bonds (distance) C4'-P energy: -128.922
bonds (distance) P-C4' energy: -122.444
flat angles C4'-P-C4' energy: -125.115
flat angles P-C4'-P energy: -75.380
tors. eta vs tors. theta energy: -102.085
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: 4
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1455.539287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.539287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.539287 (E_RNA)
where:
Base-Base interactions energy: -943.602
where: short stacking energy: -448.146
Base-Backbone interact. energy: -2.293
local terms energy: -509.644778
where:
bonds (distance) C4'-P energy: -116.336
bonds (distance) P-C4' energy: -109.847
flat angles C4'-P-C4' energy: -117.487
flat angles P-C4'-P energy: -81.656
tors. eta vs tors. theta energy: -84.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -1349.230138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.230138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.230138 (E_RNA)
where:
Base-Base interactions energy: -862.129
where: short stacking energy: -382.896
Base-Backbone interact. energy: -1.009
local terms energy: -486.092397
where:
bonds (distance) C4'-P energy: -104.528
bonds (distance) P-C4' energy: -130.153
flat angles C4'-P-C4' energy: -117.443
flat angles P-C4'-P energy: -68.691
tors. eta vs tors. theta energy: -65.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -1019.736587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.736587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.736587 (E_RNA)
where:
Base-Base interactions energy: -606.945
where: short stacking energy: -289.955
Base-Backbone interact. energy: 2.578
local terms energy: -415.369686
where:
bonds (distance) C4'-P energy: -101.274
bonds (distance) P-C4' energy: -113.367
flat angles C4'-P-C4' energy: -113.712
flat angles P-C4'-P energy: -57.319
tors. eta vs tors. theta energy: -29.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2558.671595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.671595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.671595 (E_RNA)
where:
Base-Base interactions energy: -1818.222
where: short stacking energy: -746.572
Base-Backbone interact. energy: -2.591
local terms energy: -737.858152
where:
bonds (distance) C4'-P energy: -148.930
bonds (distance) P-C4' energy: -138.071
flat angles C4'-P-C4' energy: -154.820
flat angles P-C4'-P energy: -92.424
tors. eta vs tors. theta energy: -203.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2507.377961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.377961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.377961 (E_RNA)
where:
Base-Base interactions energy: -1749.936
where: short stacking energy: -750.403
Base-Backbone interact. energy: -0.674
local terms energy: -756.767635
where:
bonds (distance) C4'-P energy: -136.472
bonds (distance) P-C4' energy: -134.375
flat angles C4'-P-C4' energy: -154.903
flat angles P-C4'-P energy: -115.179
tors. eta vs tors. theta energy: -215.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2439.803980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.803980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.803980 (E_RNA)
where:
Base-Base interactions energy: -1712.753
where: short stacking energy: -700.195
Base-Backbone interact. energy: -3.987
local terms energy: -723.064009
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -143.187
flat angles C4'-P-C4' energy: -150.117
flat angles P-C4'-P energy: -109.612
tors. eta vs tors. theta energy: -193.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2226.807508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.807508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.807508 (E_RNA)
where:
Base-Base interactions energy: -1519.421
where: short stacking energy: -694.463
Base-Backbone interact. energy: -2.066
local terms energy: -705.320297
where:
bonds (distance) C4'-P energy: -134.491
bonds (distance) P-C4' energy: -114.933
flat angles C4'-P-C4' energy: -151.558
flat angles P-C4'-P energy: -92.683
tors. eta vs tors. theta energy: -211.656
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: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -2186.282875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.282875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.282875 (E_RNA)
where:
Base-Base interactions energy: -1556.919
where: short stacking energy: -644.710
Base-Backbone interact. energy: -1.007
local terms energy: -628.357005
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -113.910
flat angles C4'-P-C4' energy: -145.067
flat angles P-C4'-P energy: -82.551
tors. eta vs tors. theta energy: -175.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -2090.064272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.064272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.064272 (E_RNA)
where:
Base-Base interactions energy: -1431.797
where: short stacking energy: -650.609
Base-Backbone interact. energy: -2.938
local terms energy: -655.329970
where:
bonds (distance) C4'-P energy: -124.732
bonds (distance) P-C4' energy: -121.214
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -80.273
tors. eta vs tors. theta energy: -196.316
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: 4
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1550.371257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.371257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.371257 (E_RNA)
where:
Base-Base interactions energy: -1040.135
where: short stacking energy: -486.295
Base-Backbone interact. energy: -1.511
local terms energy: -508.725141
where:
bonds (distance) C4'-P energy: -102.842
bonds (distance) P-C4' energy: -112.631
flat angles C4'-P-C4' energy: -107.940
flat angles P-C4'-P energy: -56.354
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: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1560.134566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.134566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.134566 (E_RNA)
where:
Base-Base interactions energy: -1032.510
where: short stacking energy: -488.498
Base-Backbone interact. energy: 5.393
local terms energy: -533.017254
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -134.871
flat angles C4'-P-C4' energy: -129.632
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -97.315
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: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1317.532703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.532703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.532703 (E_RNA)
where:
Base-Base interactions energy: -824.191
where: short stacking energy: -375.079
Base-Backbone interact. energy: 0.183
local terms energy: -493.524612
where:
bonds (distance) C4'-P energy: -123.672
bonds (distance) P-C4' energy: -118.702
flat angles C4'-P-C4' energy: -113.859
flat angles P-C4'-P energy: -75.867
tors. eta vs tors. theta energy: -61.424
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: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -1082.569453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.569453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.569453 (E_RNA)
where:
Base-Base interactions energy: -658.858
where: short stacking energy: -319.037
Base-Backbone interact. energy: 2.413
local terms energy: -426.124115
where:
bonds (distance) C4'-P energy: -116.155
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -114.092
flat angles P-C4'-P energy: -67.485
tors. eta vs tors. theta energy: -33.079
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: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2584.169627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.169627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.169627 (E_RNA)
where:
Base-Base interactions energy: -1838.587
where: short stacking energy: -736.589
Base-Backbone interact. energy: -3.149
local terms energy: -742.432753
where:
bonds (distance) C4'-P energy: -146.703
bonds (distance) P-C4' energy: -143.113
flat angles C4'-P-C4' energy: -155.523
flat angles P-C4'-P energy: -98.524
tors. eta vs tors. theta energy: -198.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2515.281467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.281467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.281467 (E_RNA)
where:
Base-Base interactions energy: -1765.834
where: short stacking energy: -747.050
Base-Backbone interact. energy: 0.213
local terms energy: -749.660552
where:
bonds (distance) C4'-P energy: -133.816
bonds (distance) P-C4' energy: -140.169
flat angles C4'-P-C4' energy: -150.709
flat angles P-C4'-P energy: -98.571
tors. eta vs tors. theta energy: -226.395
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: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -2417.019395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.019395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.019395 (E_RNA)
where:
Base-Base interactions energy: -1736.540
where: short stacking energy: -717.243
Base-Backbone interact. energy: -3.380
local terms energy: -677.099285
where:
bonds (distance) C4'-P energy: -126.669
bonds (distance) P-C4' energy: -121.137
flat angles C4'-P-C4' energy: -151.018
flat angles P-C4'-P energy: -94.194
tors. eta vs tors. theta energy: -184.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2216.435051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.435051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.435051 (E_RNA)
where:
Base-Base interactions energy: -1515.964
where: short stacking energy: -665.895
Base-Backbone interact. energy: -0.990
local terms energy: -699.481068
where:
bonds (distance) C4'-P energy: -126.054
bonds (distance) P-C4' energy: -139.369
flat angles C4'-P-C4' energy: -144.390
flat angles P-C4'-P energy: -94.164
tors. eta vs tors. theta energy: -195.504
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: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -2182.319430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.319430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.319430 (E_RNA)
where:
Base-Base interactions energy: -1515.493
where: short stacking energy: -653.043
Base-Backbone interact. energy: -0.237
local terms energy: -666.588760
where:
bonds (distance) C4'-P energy: -113.415
bonds (distance) P-C4' energy: -134.636
flat angles C4'-P-C4' energy: -146.636
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -181.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -2100.980297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.980297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.980297 (E_RNA)
where:
Base-Base interactions energy: -1466.884
where: short stacking energy: -625.911
Base-Backbone interact. energy: -0.699
local terms energy: -633.397127
where:
bonds (distance) C4'-P energy: -110.212
bonds (distance) P-C4' energy: -128.271
flat angles C4'-P-C4' energy: -136.999
flat angles P-C4'-P energy: -80.128
tors. eta vs tors. theta energy: -177.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1594.820106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.820106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.820106 (E_RNA)
where:
Base-Base interactions energy: -1061.453
where: short stacking energy: -483.884
Base-Backbone interact. energy: 1.575
local terms energy: -534.941802
where:
bonds (distance) C4'-P energy: -104.989
bonds (distance) P-C4' energy: -122.269
flat angles C4'-P-C4' energy: -132.208
flat angles P-C4'-P energy: -67.352
tors. eta vs tors. theta energy: -108.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1583.669653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.669653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.669653 (E_RNA)
where:
Base-Base interactions energy: -1057.177
where: short stacking energy: -461.736
Base-Backbone interact. energy: -3.431
local terms energy: -523.061248
where:
bonds (distance) C4'-P energy: -121.966
bonds (distance) P-C4' energy: -122.988
flat angles C4'-P-C4' energy: -129.365
flat angles P-C4'-P energy: -68.945
tors. eta vs tors. theta energy: -79.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1334.582037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.582037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.582037 (E_RNA)
where:
Base-Base interactions energy: -841.515
where: short stacking energy: -376.895
Base-Backbone interact. energy: -0.991
local terms energy: -492.076558
where:
bonds (distance) C4'-P energy: -107.579
bonds (distance) P-C4' energy: -115.896
flat angles C4'-P-C4' energy: -145.388
flat angles P-C4'-P energy: -50.605
tors. eta vs tors. theta energy: -72.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -1040.771278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.771278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.771278 (E_RNA)
where:
Base-Base interactions energy: -613.087
where: short stacking energy: -308.724
Base-Backbone interact. energy: 1.145
local terms energy: -428.829385
where:
bonds (distance) C4'-P energy: -101.648
bonds (distance) P-C4' energy: -97.567
flat angles C4'-P-C4' energy: -127.519
flat angles P-C4'-P energy: -51.377
tors. eta vs tors. theta energy: -50.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2576.268717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.268717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.268717 (E_RNA)
where:
Base-Base interactions energy: -1843.581
where: short stacking energy: -747.501
Base-Backbone interact. energy: -7.531
local terms energy: -725.156211
where:
bonds (distance) C4'-P energy: -127.282
bonds (distance) P-C4' energy: -136.829
flat angles C4'-P-C4' energy: -150.866
flat angles P-C4'-P energy: -104.442
tors. eta vs tors. theta energy: -205.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2503.550144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.550144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.550144 (E_RNA)
where:
Base-Base interactions energy: -1738.638
where: short stacking energy: -728.286
Base-Backbone interact. energy: -5.212
local terms energy: -759.700630
where:
bonds (distance) C4'-P energy: -127.686
bonds (distance) P-C4' energy: -153.768
flat angles C4'-P-C4' energy: -158.847
flat angles P-C4'-P energy: -101.893
tors. eta vs tors. theta energy: -217.507
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: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2405.123285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.123285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.123285 (E_RNA)
where:
Base-Base interactions energy: -1702.287
where: short stacking energy: -719.010
Base-Backbone interact. energy: -1.680
local terms energy: -701.156222
where:
bonds (distance) C4'-P energy: -116.094
bonds (distance) P-C4' energy: -147.719
flat angles C4'-P-C4' energy: -151.031
flat angles P-C4'-P energy: -89.838
tors. eta vs tors. theta energy: -196.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2265.825004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.825004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.825004 (E_RNA)
where:
Base-Base interactions energy: -1572.419
where: short stacking energy: -669.369
Base-Backbone interact. energy: -3.259
local terms energy: -690.146947
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -140.134
flat angles C4'-P-C4' energy: -142.068
flat angles P-C4'-P energy: -105.186
tors. eta vs tors. theta energy: -195.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -2155.663255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.663255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.663255 (E_RNA)
where:
Base-Base interactions energy: -1508.860
where: short stacking energy: -639.382
Base-Backbone interact. energy: -3.252
local terms energy: -643.550680
where:
bonds (distance) C4'-P energy: -118.816
bonds (distance) P-C4' energy: -128.171
flat angles C4'-P-C4' energy: -137.519
flat angles P-C4'-P energy: -85.627
tors. eta vs tors. theta energy: -173.418
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: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -2102.594347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.594347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.594347 (E_RNA)
where:
Base-Base interactions energy: -1455.205
where: short stacking energy: -634.815
Base-Backbone interact. energy: 3.723
local terms energy: -651.112057
where:
bonds (distance) C4'-P energy: -109.777
bonds (distance) P-C4' energy: -133.775
flat angles C4'-P-C4' energy: -145.301
flat angles P-C4'-P energy: -92.470
tors. eta vs tors. theta energy: -169.788
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: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1593.109412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.109412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.109412 (E_RNA)
where:
Base-Base interactions energy: -1054.207
where: short stacking energy: -477.134
Base-Backbone interact. energy: 2.085
local terms energy: -540.988106
where:
bonds (distance) C4'-P energy: -105.781
bonds (distance) P-C4' energy: -124.027
flat angles C4'-P-C4' energy: -109.310
flat angles P-C4'-P energy: -83.705
tors. eta vs tors. theta energy: -118.165
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: 9
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1537.706256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.706256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.706256 (E_RNA)
where:
Base-Base interactions energy: -1019.650
where: short stacking energy: -439.978
Base-Backbone interact. energy: -5.492
local terms energy: -512.564218
where:
bonds (distance) C4'-P energy: -101.244
bonds (distance) P-C4' energy: -129.083
flat angles C4'-P-C4' energy: -124.453
flat angles P-C4'-P energy: -55.461
tors. eta vs tors. theta energy: -102.324
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: 1
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1348.372733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.372733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.372733 (E_RNA)
where:
Base-Base interactions energy: -875.835
where: short stacking energy: -383.836
Base-Backbone interact. energy: 2.059
local terms energy: -474.596101
where:
bonds (distance) C4'-P energy: -104.186
bonds (distance) P-C4' energy: -115.298
flat angles C4'-P-C4' energy: -120.194
flat angles P-C4'-P energy: -59.568
tors. eta vs tors. theta energy: -75.351
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: 8
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -1026.337962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.337962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.337962 (E_RNA)
where:
Base-Base interactions energy: -612.175
where: short stacking energy: -317.729
Base-Backbone interact. energy: -0.406
local terms energy: -413.757660
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -134.549
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -51.644
tors. eta vs tors. theta energy: -26.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2539.392299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.392299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.392299 (E_RNA)
where:
Base-Base interactions energy: -1821.966
where: short stacking energy: -747.530
Base-Backbone interact. energy: 2.160
local terms energy: -719.586698
where:
bonds (distance) C4'-P energy: -126.813
bonds (distance) P-C4' energy: -140.182
flat angles C4'-P-C4' energy: -152.567
flat angles P-C4'-P energy: -101.566
tors. eta vs tors. theta energy: -198.459
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2525.243752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.243752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.243752 (E_RNA)
where:
Base-Base interactions energy: -1761.235
where: short stacking energy: -747.425
Base-Backbone interact. energy: -4.638
local terms energy: -759.370822
where:
bonds (distance) C4'-P energy: -136.754
bonds (distance) P-C4' energy: -133.319
flat angles C4'-P-C4' energy: -158.255
flat angles P-C4'-P energy: -107.057
tors. eta vs tors. theta energy: -223.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2426.715091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.715091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.715091 (E_RNA)
where:
Base-Base interactions energy: -1728.804
where: short stacking energy: -717.378
Base-Backbone interact. energy: -3.295
local terms energy: -694.615276
where:
bonds (distance) C4'-P energy: -123.173
bonds (distance) P-C4' energy: -125.780
flat angles C4'-P-C4' energy: -149.608
flat angles P-C4'-P energy: -106.345
tors. eta vs tors. theta energy: -189.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2278.518394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.518394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.518394 (E_RNA)
where:
Base-Base interactions energy: -1590.345
where: short stacking energy: -695.876
Base-Backbone interact. energy: -2.955
local terms energy: -685.217691
where:
bonds (distance) C4'-P energy: -113.878
bonds (distance) P-C4' energy: -133.676
flat angles C4'-P-C4' energy: -137.443
flat angles P-C4'-P energy: -102.334
tors. eta vs tors. theta energy: -197.887
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: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -2131.925202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.925202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.925202 (E_RNA)
where:
Base-Base interactions energy: -1488.788
where: short stacking energy: -653.805
Base-Backbone interact. energy: -2.247
local terms energy: -640.890396
where:
bonds (distance) C4'-P energy: -135.684
bonds (distance) P-C4' energy: -119.781
flat angles C4'-P-C4' energy: -135.629
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -162.644
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: 235
Temperature: 1.150000
Total energy: -2131.100230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.100230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.100230 (E_RNA)
where:
Base-Base interactions energy: -1471.696
where: short stacking energy: -638.952
Base-Backbone interact. energy: -1.798
local terms energy: -657.606208
where:
bonds (distance) C4'-P energy: -129.884
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -139.574
flat angles P-C4'-P energy: -95.548
tors. eta vs tors. theta energy: -174.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1601.393463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.393463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.393463 (E_RNA)
where:
Base-Base interactions energy: -1047.208
where: short stacking energy: -473.673
Base-Backbone interact. energy: -0.651
local terms energy: -553.534520
where:
bonds (distance) C4'-P energy: -122.344
bonds (distance) P-C4' energy: -116.354
flat angles C4'-P-C4' energy: -130.025
flat angles P-C4'-P energy: -85.267
tors. eta vs tors. theta energy: -99.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1554.396218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.396218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.396218 (E_RNA)
where:
Base-Base interactions energy: -1050.067
where: short stacking energy: -468.413
Base-Backbone interact. energy: 5.415
local terms energy: -509.743774
where:
bonds (distance) C4'-P energy: -108.332
bonds (distance) P-C4' energy: -105.520
flat angles C4'-P-C4' energy: -132.966
flat angles P-C4'-P energy: -77.978
tors. eta vs tors. theta energy: -84.948
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: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1331.426795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.426795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.426795 (E_RNA)
where:
Base-Base interactions energy: -862.501
where: short stacking energy: -387.909
Base-Backbone interact. energy: 1.773
local terms energy: -470.698702
where:
bonds (distance) C4'-P energy: -82.080
bonds (distance) P-C4' energy: -123.739
flat angles C4'-P-C4' energy: -114.231
flat angles P-C4'-P energy: -87.238
tors. eta vs tors. theta energy: -63.411
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: 8
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -962.528442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.528442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.528442 (E_RNA)
where:
Base-Base interactions energy: -557.614
where: short stacking energy: -291.189
Base-Backbone interact. energy: -1.061
local terms energy: -403.853731
where:
bonds (distance) C4'-P energy: -118.986
bonds (distance) P-C4' energy: -107.892
flat angles C4'-P-C4' energy: -102.580
flat angles P-C4'-P energy: -55.312
tors. eta vs tors. theta energy: -19.084
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: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2527.423485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.423485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.423485 (E_RNA)
where:
Base-Base interactions energy: -1790.792
where: short stacking energy: -738.812
Base-Backbone interact. energy: -5.264
local terms energy: -731.368046
where:
bonds (distance) C4'-P energy: -126.972
bonds (distance) P-C4' energy: -143.736
flat angles C4'-P-C4' energy: -166.070
flat angles P-C4'-P energy: -103.504
tors. eta vs tors. theta energy: -191.085
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: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2497.228733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.228733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.228733 (E_RNA)
where:
Base-Base interactions energy: -1737.681
where: short stacking energy: -748.696
Base-Backbone interact. energy: -2.773
local terms energy: -756.774121
where:
bonds (distance) C4'-P energy: -135.327
bonds (distance) P-C4' energy: -134.385
flat angles C4'-P-C4' energy: -156.560
flat angles P-C4'-P energy: -114.127
tors. eta vs tors. theta energy: -216.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2426.979877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.979877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.979877 (E_RNA)
where:
Base-Base interactions energy: -1725.085
where: short stacking energy: -701.699
Base-Backbone interact. energy: -0.633
local terms energy: -701.261862
where:
bonds (distance) C4'-P energy: -131.251
bonds (distance) P-C4' energy: -130.113
flat angles C4'-P-C4' energy: -154.860
flat angles P-C4'-P energy: -90.733
tors. eta vs tors. theta energy: -194.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2277.612304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.612304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.612304 (E_RNA)
where:
Base-Base interactions energy: -1572.990
where: short stacking energy: -708.577
Base-Backbone interact. energy: -2.280
local terms energy: -702.342452
where:
bonds (distance) C4'-P energy: -138.186
bonds (distance) P-C4' energy: -118.791
flat angles C4'-P-C4' energy: -155.191
flat angles P-C4'-P energy: -95.610
tors. eta vs tors. theta energy: -194.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -2227.145333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.145333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.145333 (E_RNA)
where:
Base-Base interactions energy: -1551.707
where: short stacking energy: -698.381
Base-Backbone interact. energy: 2.740
local terms energy: -678.178509
where:
bonds (distance) C4'-P energy: -122.070
bonds (distance) P-C4' energy: -132.252
flat angles C4'-P-C4' energy: -151.621
flat angles P-C4'-P energy: -79.889
tors. eta vs tors. theta energy: -192.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -2016.232311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.232311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.232311 (E_RNA)
where:
Base-Base interactions energy: -1426.355
where: short stacking energy: -621.247
Base-Backbone interact. energy: 1.710
local terms energy: -591.587167
where:
bonds (distance) C4'-P energy: -111.978
bonds (distance) P-C4' energy: -109.503
flat angles C4'-P-C4' energy: -125.155
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -160.941
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: 7, replica: 4
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1590.341666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.341666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.341666 (E_RNA)
where:
Base-Base interactions energy: -1054.477
where: short stacking energy: -462.124
Base-Backbone interact. energy: 0.056
local terms energy: -535.920353
where:
bonds (distance) C4'-P energy: -121.901
bonds (distance) P-C4' energy: -113.351
flat angles C4'-P-C4' energy: -134.517
flat angles P-C4'-P energy: -80.288
tors. eta vs tors. theta energy: -85.863
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: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1507.668005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.668005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.668005 (E_RNA)
where:
Base-Base interactions energy: -980.069
where: short stacking energy: -440.996
Base-Backbone interact. energy: -3.411
local terms energy: -524.187986
where:
bonds (distance) C4'-P energy: -114.061
bonds (distance) P-C4' energy: -119.466
flat angles C4'-P-C4' energy: -119.539
flat angles P-C4'-P energy: -83.676
tors. eta vs tors. theta energy: -87.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1349.089068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.089068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.089068 (E_RNA)
where:
Base-Base interactions energy: -882.249
where: short stacking energy: -380.380
Base-Backbone interact. energy: 4.126
local terms energy: -470.965850
where:
bonds (distance) C4'-P energy: -99.570
bonds (distance) P-C4' energy: -126.126
flat angles C4'-P-C4' energy: -124.355
flat angles P-C4'-P energy: -63.529
tors. eta vs tors. theta energy: -57.386
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: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -965.684906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.684906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.684906 (E_RNA)
where:
Base-Base interactions energy: -566.895
where: short stacking energy: -293.160
Base-Backbone interact. energy: -1.126
local terms energy: -397.663157
where:
bonds (distance) C4'-P energy: -100.780
bonds (distance) P-C4' energy: -112.493
flat angles C4'-P-C4' energy: -101.872
flat angles P-C4'-P energy: -56.541
tors. eta vs tors. theta energy: -25.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2547.777649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.777649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.777649 (E_RNA)
where:
Base-Base interactions energy: -1799.934
where: short stacking energy: -771.893
Base-Backbone interact. energy: -2.625
local terms energy: -745.218819
where:
bonds (distance) C4'-P energy: -138.899
bonds (distance) P-C4' energy: -135.649
flat angles C4'-P-C4' energy: -166.823
flat angles P-C4'-P energy: -100.833
tors. eta vs tors. theta energy: -203.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2492.818565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.818565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.818565 (E_RNA)
where:
Base-Base interactions energy: -1741.049
where: short stacking energy: -731.620
Base-Backbone interact. energy: -1.025
local terms energy: -750.743729
where:
bonds (distance) C4'-P energy: -127.072
bonds (distance) P-C4' energy: -142.267
flat angles C4'-P-C4' energy: -152.245
flat angles P-C4'-P energy: -111.182
tors. eta vs tors. theta energy: -217.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2407.726966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.726966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.726966 (E_RNA)
where:
Base-Base interactions energy: -1716.273
where: short stacking energy: -717.347
Base-Backbone interact. energy: 0.614
local terms energy: -692.068479
where:
bonds (distance) C4'-P energy: -127.228
bonds (distance) P-C4' energy: -122.787
flat angles C4'-P-C4' energy: -149.744
flat angles P-C4'-P energy: -100.965
tors. eta vs tors. theta energy: -191.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2293.699883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.699883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.699883 (E_RNA)
where:
Base-Base interactions energy: -1587.510
where: short stacking energy: -704.384
Base-Backbone interact. energy: -1.172
local terms energy: -705.017304
where:
bonds (distance) C4'-P energy: -120.868
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -143.564
flat angles P-C4'-P energy: -111.684
tors. eta vs tors. theta energy: -205.597
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: 5, replica: 5
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -2245.286734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.286734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.286734 (E_RNA)
where:
Base-Base interactions energy: -1567.690
where: short stacking energy: -669.337
Base-Backbone interact. energy: -2.198
local terms energy: -675.398644
where:
bonds (distance) C4'-P energy: -119.405
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -157.317
flat angles P-C4'-P energy: -83.136
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: 6
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -2040.465287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.465287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.465287 (E_RNA)
where:
Base-Base interactions energy: -1440.157
where: short stacking energy: -605.719
Base-Backbone interact. energy: 2.190
local terms energy: -602.498773
where:
bonds (distance) C4'-P energy: -109.702
bonds (distance) P-C4' energy: -122.901
flat angles C4'-P-C4' energy: -133.624
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -160.945
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: 4
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1575.921379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.921379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.921379 (E_RNA)
where:
Base-Base interactions energy: -1050.903
where: short stacking energy: -462.734
Base-Backbone interact. energy: 1.651
local terms energy: -526.670166
where:
bonds (distance) C4'-P energy: -115.945
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -126.551
flat angles P-C4'-P energy: -60.976
tors. eta vs tors. theta energy: -87.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1550.043479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.043479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.043479 (E_RNA)
where:
Base-Base interactions energy: -1006.259
where: short stacking energy: -421.759
Base-Backbone interact. energy: -2.184
local terms energy: -541.600631
where:
bonds (distance) C4'-P energy: -130.552
bonds (distance) P-C4' energy: -119.084
flat angles C4'-P-C4' energy: -127.433
flat angles P-C4'-P energy: -92.671
tors. eta vs tors. theta energy: -71.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1349.130572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.130572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.130572 (E_RNA)
where:
Base-Base interactions energy: -849.254
where: short stacking energy: -379.407
Base-Backbone interact. energy: 4.238
local terms energy: -504.113774
where:
bonds (distance) C4'-P energy: -123.369
bonds (distance) P-C4' energy: -122.202
flat angles C4'-P-C4' energy: -120.997
flat angles P-C4'-P energy: -61.089
tors. eta vs tors. theta energy: -76.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -958.173839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.173839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.173839 (E_RNA)
where:
Base-Base interactions energy: -541.677
where: short stacking energy: -286.809
Base-Backbone interact. energy: 3.294
local terms energy: -419.790941
where:
bonds (distance) C4'-P energy: -113.895
bonds (distance) P-C4' energy: -113.931
flat angles C4'-P-C4' energy: -102.217
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -25.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2559.793534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.793534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.793534 (E_RNA)
where:
Base-Base interactions energy: -1814.267
where: short stacking energy: -769.905
Base-Backbone interact. energy: -0.938
local terms energy: -744.588480
where:
bonds (distance) C4'-P energy: -139.152
bonds (distance) P-C4' energy: -138.790
flat angles C4'-P-C4' energy: -161.292
flat angles P-C4'-P energy: -102.590
tors. eta vs tors. theta energy: -202.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2489.071455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.071455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.071455 (E_RNA)
where:
Base-Base interactions energy: -1716.919
where: short stacking energy: -724.957
Base-Backbone interact. energy: -1.315
local terms energy: -770.837277
where:
bonds (distance) C4'-P energy: -148.870
bonds (distance) P-C4' energy: -142.235
flat angles C4'-P-C4' energy: -155.391
flat angles P-C4'-P energy: -101.127
tors. eta vs tors. theta energy: -223.215
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -2440.515134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.515134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.515134 (E_RNA)
where:
Base-Base interactions energy: -1707.579
where: short stacking energy: -708.369
Base-Backbone interact. energy: -4.355
local terms energy: -728.580507
where:
bonds (distance) C4'-P energy: -130.644
bonds (distance) P-C4' energy: -153.073
flat angles C4'-P-C4' energy: -152.732
flat angles P-C4'-P energy: -90.062
tors. eta vs tors. theta energy: -202.070
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: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2276.759449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.759449 (E_RNA)
where:
Base-Base interactions energy: -1563.373
where: short stacking energy: -702.765
Base-Backbone interact. energy: -0.236
local terms energy: -713.149535
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -125.853
flat angles C4'-P-C4' energy: -150.171
flat angles P-C4'-P energy: -109.741
tors. eta vs tors. theta energy: -204.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -2149.137508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.137508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.137508 (E_RNA)
where:
Base-Base interactions energy: -1513.656
where: short stacking energy: -645.274
Base-Backbone interact. energy: -1.849
local terms energy: -633.633218
where:
bonds (distance) C4'-P energy: -109.525
bonds (distance) P-C4' energy: -97.173
flat angles C4'-P-C4' energy: -138.650
flat angles P-C4'-P energy: -107.961
tors. eta vs tors. theta energy: -180.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1993.311950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.311950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.311950 (E_RNA)
where:
Base-Base interactions energy: -1352.836
where: short stacking energy: -590.725
Base-Backbone interact. energy: 3.107
local terms energy: -643.582843
where:
bonds (distance) C4'-P energy: -132.622
bonds (distance) P-C4' energy: -114.576
flat angles C4'-P-C4' energy: -146.588
flat angles P-C4'-P energy: -92.116
tors. eta vs tors. theta energy: -157.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1662.941961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.941961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.941961 (E_RNA)
where:
Base-Base interactions energy: -1115.199
where: short stacking energy: -489.010
Base-Backbone interact. energy: -4.817
local terms energy: -542.926003
where:
bonds (distance) C4'-P energy: -105.847
bonds (distance) P-C4' energy: -116.077
flat angles C4'-P-C4' energy: -126.019
flat angles P-C4'-P energy: -78.658
tors. eta vs tors. theta energy: -116.326
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: 238
Temperature: 1.250000
Total energy: -1496.174548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.174548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.174548 (E_RNA)
where:
Base-Base interactions energy: -1010.702
where: short stacking energy: -421.373
Base-Backbone interact. energy: 0.507
local terms energy: -485.979577
where:
bonds (distance) C4'-P energy: -101.019
bonds (distance) P-C4' energy: -123.078
flat angles C4'-P-C4' energy: -109.692
flat angles P-C4'-P energy: -68.586
tors. eta vs tors. theta energy: -83.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1355.492588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.492588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.492588 (E_RNA)
where:
Base-Base interactions energy: -885.594
where: short stacking energy: -400.037
Base-Backbone interact. energy: 1.389
local terms energy: -471.287721
where:
bonds (distance) C4'-P energy: -105.486
bonds (distance) P-C4' energy: -123.820
flat angles C4'-P-C4' energy: -106.527
flat angles P-C4'-P energy: -75.057
tors. eta vs tors. theta energy: -60.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -941.648825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.648825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.648825 (E_RNA)
where:
Base-Base interactions energy: -537.648
where: short stacking energy: -274.633
Base-Backbone interact. energy: 3.250
local terms energy: -407.250419
where:
bonds (distance) C4'-P energy: -106.821
bonds (distance) P-C4' energy: -112.838
flat angles C4'-P-C4' energy: -90.016
flat angles P-C4'-P energy: -81.353
tors. eta vs tors. theta energy: -16.222
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: 3
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2561.491243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.491243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.491243 (E_RNA)
where:
Base-Base interactions energy: -1840.881
where: short stacking energy: -745.130
Base-Backbone interact. energy: -2.904
local terms energy: -717.706561
where:
bonds (distance) C4'-P energy: -127.684
bonds (distance) P-C4' energy: -135.711
flat angles C4'-P-C4' energy: -157.680
flat angles P-C4'-P energy: -89.571
tors. eta vs tors. theta energy: -207.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2536.630638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.630638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.630638 (E_RNA)
where:
Base-Base interactions energy: -1789.697
where: short stacking energy: -763.640
Base-Backbone interact. energy: -3.283
local terms energy: -743.651340
where:
bonds (distance) C4'-P energy: -135.008
bonds (distance) P-C4' energy: -141.316
flat angles C4'-P-C4' energy: -149.447
flat angles P-C4'-P energy: -96.726
tors. eta vs tors. theta energy: -221.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2422.627470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.627470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.627470 (E_RNA)
where:
Base-Base interactions energy: -1689.038
where: short stacking energy: -705.647
Base-Backbone interact. energy: 1.939
local terms energy: -735.528168
where:
bonds (distance) C4'-P energy: -140.974
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -156.518
flat angles P-C4'-P energy: -102.740
tors. eta vs tors. theta energy: -206.594
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: 10
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2271.676244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.676244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.676244 (E_RNA)
where:
Base-Base interactions energy: -1561.169
where: short stacking energy: -683.367
Base-Backbone interact. energy: 0.997
local terms energy: -711.504053
where:
bonds (distance) C4'-P energy: -117.987
bonds (distance) P-C4' energy: -134.464
flat angles C4'-P-C4' energy: -153.255
flat angles P-C4'-P energy: -102.189
tors. eta vs tors. theta energy: -203.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -2211.517334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.517334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.517334 (E_RNA)
where:
Base-Base interactions energy: -1543.417
where: short stacking energy: -675.033
Base-Backbone interact. energy: -1.627
local terms energy: -666.472543
where:
bonds (distance) C4'-P energy: -115.398
bonds (distance) P-C4' energy: -135.061
flat angles C4'-P-C4' energy: -142.650
flat angles P-C4'-P energy: -93.231
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: 6
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -2033.391647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.391647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.391647 (E_RNA)
where:
Base-Base interactions energy: -1426.747
where: short stacking energy: -627.367
Base-Backbone interact. energy: 4.779
local terms energy: -611.423237
where:
bonds (distance) C4'-P energy: -97.641
bonds (distance) P-C4' energy: -121.323
flat angles C4'-P-C4' energy: -157.221
flat angles P-C4'-P energy: -76.338
tors. eta vs tors. theta energy: -158.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1602.996911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.996911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.996911 (E_RNA)
where:
Base-Base interactions energy: -1076.402
where: short stacking energy: -462.897
Base-Backbone interact. energy: -0.265
local terms energy: -526.329089
where:
bonds (distance) C4'-P energy: -111.350
bonds (distance) P-C4' energy: -117.248
flat angles C4'-P-C4' energy: -126.932
flat angles P-C4'-P energy: -66.155
tors. eta vs tors. theta energy: -104.644
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: 239
Temperature: 1.250000
Total energy: -1436.399900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.399900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.399900 (E_RNA)
where:
Base-Base interactions energy: -939.840
where: short stacking energy: -401.028
Base-Backbone interact. energy: -2.171
local terms energy: -494.388549
where:
bonds (distance) C4'-P energy: -114.741
bonds (distance) P-C4' energy: -109.590
flat angles C4'-P-C4' energy: -118.888
flat angles P-C4'-P energy: -81.076
tors. eta vs tors. theta energy: -70.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1336.285744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.285744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.285744 (E_RNA)
where:
Base-Base interactions energy: -837.517
where: short stacking energy: -422.804
Base-Backbone interact. energy: -0.110
local terms energy: -498.658475
where:
bonds (distance) C4'-P energy: -106.551
bonds (distance) P-C4' energy: -113.610
flat angles C4'-P-C4' energy: -127.206
flat angles P-C4'-P energy: -69.975
tors. eta vs tors. theta energy: -81.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -950.257442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.257442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.257442 (E_RNA)
where:
Base-Base interactions energy: -551.958
where: short stacking energy: -265.507
Base-Backbone interact. energy: 7.071
local terms energy: -405.370641
where:
bonds (distance) C4'-P energy: -111.855
bonds (distance) P-C4' energy: -103.480
flat angles C4'-P-C4' energy: -102.616
flat angles P-C4'-P energy: -67.074
tors. eta vs tors. theta energy: -20.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2563.159939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.159939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.159939 (E_RNA)
where:
Base-Base interactions energy: -1805.302
where: short stacking energy: -744.805
Base-Backbone interact. energy: -0.195
local terms energy: -757.662830
where:
bonds (distance) C4'-P energy: -147.321
bonds (distance) P-C4' energy: -143.649
flat angles C4'-P-C4' energy: -157.987
flat angles P-C4'-P energy: -107.597
tors. eta vs tors. theta energy: -201.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2525.646595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.646595 (E_RNA)
where:
Base-Base interactions energy: -1780.668
where: short stacking energy: -724.939
Base-Backbone interact. energy: -3.170
local terms energy: -741.808985
where:
bonds (distance) C4'-P energy: -138.435
bonds (distance) P-C4' energy: -129.025
flat angles C4'-P-C4' energy: -166.180
flat angles P-C4'-P energy: -102.554
tors. eta vs tors. theta energy: -205.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2412.575019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.575019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.575019 (E_RNA)
where:
Base-Base interactions energy: -1724.686
where: short stacking energy: -713.784
Base-Backbone interact. energy: -1.832
local terms energy: -686.056475
where:
bonds (distance) C4'-P energy: -118.240
bonds (distance) P-C4' energy: -113.075
flat angles C4'-P-C4' energy: -158.821
flat angles P-C4'-P energy: -109.243
tors. eta vs tors. theta energy: -186.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2268.789955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.789955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.789955 (E_RNA)
where:
Base-Base interactions energy: -1551.860
where: short stacking energy: -691.007
Base-Backbone interact. energy: -1.163
local terms energy: -715.766447
where:
bonds (distance) C4'-P energy: -132.518
bonds (distance) P-C4' energy: -118.124
flat angles C4'-P-C4' energy: -153.118
flat angles P-C4'-P energy: -103.626
tors. eta vs tors. theta energy: -208.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -2195.532788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.532788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.532788 (E_RNA)
where:
Base-Base interactions energy: -1534.066
where: short stacking energy: -661.182
Base-Backbone interact. energy: -0.120
local terms energy: -661.346844
where:
bonds (distance) C4'-P energy: -129.335
bonds (distance) P-C4' energy: -129.949
flat angles C4'-P-C4' energy: -136.784
flat angles P-C4'-P energy: -84.878
tors. eta vs tors. theta energy: -180.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1979.191518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.191518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.191518 (E_RNA)
where:
Base-Base interactions energy: -1384.207
where: short stacking energy: -578.034
Base-Backbone interact. energy: 2.778
local terms energy: -597.762262
where:
bonds (distance) C4'-P energy: -109.755
bonds (distance) P-C4' energy: -115.432
flat angles C4'-P-C4' energy: -143.095
flat angles P-C4'-P energy: -83.617
tors. eta vs tors. theta energy: -145.863
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: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1659.855860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.855860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.855860 (E_RNA)
where:
Base-Base interactions energy: -1161.536
where: short stacking energy: -481.244
Base-Backbone interact. energy: -0.803
local terms energy: -497.517274
where:
bonds (distance) C4'-P energy: -103.687
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -86.087
tors. eta vs tors. theta energy: -94.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1370.939830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.939830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.939830 (E_RNA)
where:
Base-Base interactions energy: -878.734
where: short stacking energy: -386.191
Base-Backbone interact. energy: 0.526
local terms energy: -492.731664
where:
bonds (distance) C4'-P energy: -124.193
bonds (distance) P-C4' energy: -112.771
flat angles C4'-P-C4' energy: -132.336
flat angles P-C4'-P energy: -61.687
tors. eta vs tors. theta energy: -61.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1370.805728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.805728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.805728 (E_RNA)
where:
Base-Base interactions energy: -902.279
where: short stacking energy: -383.117
Base-Backbone interact. energy: -1.718
local terms energy: -466.808368
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -111.772
flat angles C4'-P-C4' energy: -127.869
flat angles P-C4'-P energy: -63.706
tors. eta vs tors. theta energy: -65.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -953.526796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.526796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.526796 (E_RNA)
where:
Base-Base interactions energy: -541.270
where: short stacking energy: -268.476
Base-Backbone interact. energy: 0.251
local terms energy: -412.507043
where:
bonds (distance) C4'-P energy: -103.883
bonds (distance) P-C4' energy: -119.777
flat angles C4'-P-C4' energy: -95.624
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2558.388862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.388862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.388862 (E_RNA)
where:
Base-Base interactions energy: -1811.433
where: short stacking energy: -736.835
Base-Backbone interact. energy: 2.628
local terms energy: -749.583555
where:
bonds (distance) C4'-P energy: -137.402
bonds (distance) P-C4' energy: -140.751
flat angles C4'-P-C4' energy: -153.083
flat angles P-C4'-P energy: -109.960
tors. eta vs tors. theta energy: -208.387
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: 241
Temperature: 0.950000
Total energy: -2544.463007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.463007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.463007 (E_RNA)
where:
Base-Base interactions energy: -1805.151
where: short stacking energy: -748.729
Base-Backbone interact. energy: -3.019
local terms energy: -736.292681
where:
bonds (distance) C4'-P energy: -131.909
bonds (distance) P-C4' energy: -130.254
flat angles C4'-P-C4' energy: -156.915
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -220.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2420.348072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.348072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.348072 (E_RNA)
where:
Base-Base interactions energy: -1722.576
where: short stacking energy: -691.307
Base-Backbone interact. energy: -2.700
local terms energy: -695.072524
where:
bonds (distance) C4'-P energy: -135.744
bonds (distance) P-C4' energy: -117.002
flat angles C4'-P-C4' energy: -155.230
flat angles P-C4'-P energy: -104.587
tors. eta vs tors. theta energy: -182.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2229.498637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.498637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.498637 (E_RNA)
where:
Base-Base interactions energy: -1540.043
where: short stacking energy: -647.005
Base-Backbone interact. energy: -2.573
local terms energy: -686.882541
where:
bonds (distance) C4'-P energy: -131.247
bonds (distance) P-C4' energy: -116.774
flat angles C4'-P-C4' energy: -153.497
flat angles P-C4'-P energy: -96.329
tors. eta vs tors. theta energy: -189.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -2162.448973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.448973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.448973 (E_RNA)
where:
Base-Base interactions energy: -1498.962
where: short stacking energy: -656.031
Base-Backbone interact. energy: -6.657
local terms energy: -656.829752
where:
bonds (distance) C4'-P energy: -126.221
bonds (distance) P-C4' energy: -117.745
flat angles C4'-P-C4' energy: -129.625
flat angles P-C4'-P energy: -102.574
tors. eta vs tors. theta energy: -180.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -2002.780035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.780035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.780035 (E_RNA)
where:
Base-Base interactions energy: -1436.910
where: short stacking energy: -625.114
Base-Backbone interact. energy: 2.018
local terms energy: -567.888805
where:
bonds (distance) C4'-P energy: -94.013
bonds (distance) P-C4' energy: -117.439
flat angles C4'-P-C4' energy: -140.142
flat angles P-C4'-P energy: -70.166
tors. eta vs tors. theta energy: -146.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1640.630869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.630869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.630869 (E_RNA)
where:
Base-Base interactions energy: -1145.176
where: short stacking energy: -489.028
Base-Backbone interact. energy: -0.404
local terms energy: -495.051554
where:
bonds (distance) C4'-P energy: -109.373
bonds (distance) P-C4' energy: -118.219
flat angles C4'-P-C4' energy: -111.854
flat angles P-C4'-P energy: -59.602
tors. eta vs tors. theta energy: -96.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1503.288366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.288366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.288366 (E_RNA)
where:
Base-Base interactions energy: -1012.735
where: short stacking energy: -434.893
Base-Backbone interact. energy: 4.939
local terms energy: -495.491619
where:
bonds (distance) C4'-P energy: -108.197
bonds (distance) P-C4' energy: -120.088
flat angles C4'-P-C4' energy: -136.126
flat angles P-C4'-P energy: -71.551
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1374.105810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.105810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.105810 (E_RNA)
where:
Base-Base interactions energy: -914.948
where: short stacking energy: -410.494
Base-Backbone interact. energy: -3.632
local terms energy: -455.526584
where:
bonds (distance) C4'-P energy: -94.953
bonds (distance) P-C4' energy: -114.840
flat angles C4'-P-C4' energy: -113.941
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -74.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -847.081936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.081936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.081936 (E_RNA)
where:
Base-Base interactions energy: -451.552
where: short stacking energy: -216.537
Base-Backbone interact. energy: -3.010
local terms energy: -392.519957
where:
bonds (distance) C4'-P energy: -100.190
bonds (distance) P-C4' energy: -125.965
flat angles C4'-P-C4' energy: -107.140
flat angles P-C4'-P energy: -65.802
tors. eta vs tors. theta energy: 6.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2571.889863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.889863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.889863 (E_RNA)
where:
Base-Base interactions energy: -1820.020
where: short stacking energy: -766.412
Base-Backbone interact. energy: 0.520
local terms energy: -752.389337
where:
bonds (distance) C4'-P energy: -129.966
bonds (distance) P-C4' energy: -135.548
flat angles C4'-P-C4' energy: -154.800
flat angles P-C4'-P energy: -110.542
tors. eta vs tors. theta energy: -221.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2519.676845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.676845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.676845 (E_RNA)
where:
Base-Base interactions energy: -1814.751
where: short stacking energy: -725.484
Base-Backbone interact. energy: -0.333
local terms energy: -704.593147
where:
bonds (distance) C4'-P energy: -129.323
bonds (distance) P-C4' energy: -135.682
flat angles C4'-P-C4' energy: -146.061
flat angles P-C4'-P energy: -92.767
tors. eta vs tors. theta energy: -200.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -2416.021260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.021260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.021260 (E_RNA)
where:
Base-Base interactions energy: -1702.093
where: short stacking energy: -706.443
Base-Backbone interact. energy: -4.915
local terms energy: -709.013312
where:
bonds (distance) C4'-P energy: -130.109
bonds (distance) P-C4' energy: -120.526
flat angles C4'-P-C4' energy: -162.646
flat angles P-C4'-P energy: -106.707
tors. eta vs tors. theta energy: -189.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2230.542553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.542553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.542553 (E_RNA)
where:
Base-Base interactions energy: -1535.355
where: short stacking energy: -682.103
Base-Backbone interact. energy: -0.333
local terms energy: -694.854888
where:
bonds (distance) C4'-P energy: -119.168
bonds (distance) P-C4' energy: -126.971
flat angles C4'-P-C4' energy: -134.739
flat angles P-C4'-P energy: -105.794
tors. eta vs tors. theta energy: -208.183
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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -2214.284878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.284878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.284878 (E_RNA)
where:
Base-Base interactions energy: -1518.895
where: short stacking energy: -665.707
Base-Backbone interact. energy: -1.836
local terms energy: -693.554061
where:
bonds (distance) C4'-P energy: -128.738
bonds (distance) P-C4' energy: -122.974
flat angles C4'-P-C4' energy: -154.193
flat angles P-C4'-P energy: -94.200
tors. eta vs tors. theta energy: -193.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -2025.833254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.833254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.833254 (E_RNA)
where:
Base-Base interactions energy: -1384.296
where: short stacking energy: -575.487
Base-Backbone interact. energy: -0.203
local terms energy: -641.334390
where:
bonds (distance) C4'-P energy: -131.828
bonds (distance) P-C4' energy: -129.369
flat angles C4'-P-C4' energy: -138.526
flat angles P-C4'-P energy: -85.611
tors. eta vs tors. theta energy: -156.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1640.751480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.751480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.751480 (E_RNA)
where:
Base-Base interactions energy: -1113.943
where: short stacking energy: -504.051
Base-Backbone interact. energy: -4.055
local terms energy: -522.753036
where:
bonds (distance) C4'-P energy: -103.893
bonds (distance) P-C4' energy: -118.402
flat angles C4'-P-C4' energy: -118.571
flat angles P-C4'-P energy: -92.449
tors. eta vs tors. theta energy: -89.438
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: 242
Temperature: 1.250000
Total energy: -1482.524045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.524045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.524045 (E_RNA)
where:
Base-Base interactions energy: -1001.497
where: short stacking energy: -424.602
Base-Backbone interact. energy: 0.323
local terms energy: -481.349505
where:
bonds (distance) C4'-P energy: -111.641
bonds (distance) P-C4' energy: -110.200
flat angles C4'-P-C4' energy: -106.813
flat angles P-C4'-P energy: -66.167
tors. eta vs tors. theta energy: -86.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1356.597462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.597462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.597462 (E_RNA)
where:
Base-Base interactions energy: -894.381
where: short stacking energy: -392.496
Base-Backbone interact. energy: 4.893
local terms energy: -467.109292
where:
bonds (distance) C4'-P energy: -91.561
bonds (distance) P-C4' energy: -122.604
flat angles C4'-P-C4' energy: -104.756
flat angles P-C4'-P energy: -74.271
tors. eta vs tors. theta energy: -73.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -929.528831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.528831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.528831 (E_RNA)
where:
Base-Base interactions energy: -531.851
where: short stacking energy: -268.953
Base-Backbone interact. energy: 6.832
local terms energy: -404.509928
where:
bonds (distance) C4'-P energy: -105.828
bonds (distance) P-C4' energy: -110.864
flat angles C4'-P-C4' energy: -104.233
flat angles P-C4'-P energy: -73.061
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2542.304327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.304327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.304327 (E_RNA)
where:
Base-Base interactions energy: -1822.213
where: short stacking energy: -761.984
Base-Backbone interact. energy: -4.888
local terms energy: -715.203464
where:
bonds (distance) C4'-P energy: -115.606
bonds (distance) P-C4' energy: -119.518
flat angles C4'-P-C4' energy: -156.985
flat angles P-C4'-P energy: -103.118
tors. eta vs tors. theta energy: -219.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2525.131713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.131713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.131713 (E_RNA)
where:
Base-Base interactions energy: -1793.406
where: short stacking energy: -727.325
Base-Backbone interact. energy: -3.812
local terms energy: -727.913449
where:
bonds (distance) C4'-P energy: -141.194
bonds (distance) P-C4' energy: -135.854
flat angles C4'-P-C4' energy: -153.353
flat angles P-C4'-P energy: -99.342
tors. eta vs tors. theta energy: -198.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2391.068137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.068137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.068137 (E_RNA)
where:
Base-Base interactions energy: -1697.784
where: short stacking energy: -680.638
Base-Backbone interact. energy: 2.038
local terms energy: -695.322806
where:
bonds (distance) C4'-P energy: -117.649
bonds (distance) P-C4' energy: -137.395
flat angles C4'-P-C4' energy: -141.916
flat angles P-C4'-P energy: -108.713
tors. eta vs tors. theta energy: -189.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2308.073403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.073403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.073403 (E_RNA)
where:
Base-Base interactions energy: -1580.337
where: short stacking energy: -688.947
Base-Backbone interact. energy: -2.520
local terms energy: -725.216523
where:
bonds (distance) C4'-P energy: -126.624
bonds (distance) P-C4' energy: -136.260
flat angles C4'-P-C4' energy: -149.218
flat angles P-C4'-P energy: -106.356
tors. eta vs tors. theta energy: -206.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -2166.560359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.560359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.560359 (E_RNA)
where:
Base-Base interactions energy: -1489.761
where: short stacking energy: -672.869
Base-Backbone interact. energy: -1.141
local terms energy: -675.658506
where:
bonds (distance) C4'-P energy: -118.660
bonds (distance) P-C4' energy: -131.941
flat angles C4'-P-C4' energy: -158.175
flat angles P-C4'-P energy: -85.777
tors. eta vs tors. theta energy: -181.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1952.456209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.456209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.456209 (E_RNA)
where:
Base-Base interactions energy: -1357.081
where: short stacking energy: -591.869
Base-Backbone interact. energy: -2.544
local terms energy: -592.831383
where:
bonds (distance) C4'-P energy: -108.614
bonds (distance) P-C4' energy: -118.597
flat angles C4'-P-C4' energy: -142.948
flat angles P-C4'-P energy: -79.305
tors. eta vs tors. theta energy: -143.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1697.043347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.043347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.043347 (E_RNA)
where:
Base-Base interactions energy: -1110.455
where: short stacking energy: -482.992
Base-Backbone interact. energy: -0.655
local terms energy: -585.933077
where:
bonds (distance) C4'-P energy: -121.816
bonds (distance) P-C4' energy: -130.969
flat angles C4'-P-C4' energy: -132.834
flat angles P-C4'-P energy: -82.538
tors. eta vs tors. theta energy: -117.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1509.315515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.315515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.315515 (E_RNA)
where:
Base-Base interactions energy: -990.162
where: short stacking energy: -427.969
Base-Backbone interact. energy: -0.485
local terms energy: -518.667654
where:
bonds (distance) C4'-P energy: -120.707
bonds (distance) P-C4' energy: -103.904
flat angles C4'-P-C4' energy: -128.932
flat angles P-C4'-P energy: -78.390
tors. eta vs tors. theta energy: -86.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1342.304931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.304931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.304931 (E_RNA)
where:
Base-Base interactions energy: -888.429
where: short stacking energy: -386.734
Base-Backbone interact. energy: -0.458
local terms energy: -453.417698
where:
bonds (distance) C4'-P energy: -115.864
bonds (distance) P-C4' energy: -102.298
flat angles C4'-P-C4' energy: -100.266
flat angles P-C4'-P energy: -73.200
tors. eta vs tors. theta energy: -61.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -915.911116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.911116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.911116 (E_RNA)
where:
Base-Base interactions energy: -525.810
where: short stacking energy: -275.225
Base-Backbone interact. energy: -1.239
local terms energy: -388.862327
where:
bonds (distance) C4'-P energy: -105.462
bonds (distance) P-C4' energy: -107.273
flat angles C4'-P-C4' energy: -97.707
flat angles P-C4'-P energy: -65.506
tors. eta vs tors. theta energy: -12.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2560.776012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.776012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.776012 (E_RNA)
where:
Base-Base interactions energy: -1808.963
where: short stacking energy: -741.890
Base-Backbone interact. energy: -5.820
local terms energy: -745.992779
where:
bonds (distance) C4'-P energy: -133.139
bonds (distance) P-C4' energy: -143.496
flat angles C4'-P-C4' energy: -159.364
flat angles P-C4'-P energy: -94.370
tors. eta vs tors. theta energy: -215.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2526.837230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.837230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.837230 (E_RNA)
where:
Base-Base interactions energy: -1810.566
where: short stacking energy: -736.511
Base-Backbone interact. energy: 5.556
local terms energy: -721.827372
where:
bonds (distance) C4'-P energy: -126.199
bonds (distance) P-C4' energy: -148.604
flat angles C4'-P-C4' energy: -150.906
flat angles P-C4'-P energy: -100.932
tors. eta vs tors. theta energy: -195.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -2452.288710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.288710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.288710 (E_RNA)
where:
Base-Base interactions energy: -1719.027
where: short stacking energy: -714.616
Base-Backbone interact. energy: -1.906
local terms energy: -731.355707
where:
bonds (distance) C4'-P energy: -143.583
bonds (distance) P-C4' energy: -133.970
flat angles C4'-P-C4' energy: -161.665
flat angles P-C4'-P energy: -104.892
tors. eta vs tors. theta energy: -187.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2299.939214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.939214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.939214 (E_RNA)
where:
Base-Base interactions energy: -1605.447
where: short stacking energy: -706.801
Base-Backbone interact. energy: 0.910
local terms energy: -695.401239
where:
bonds (distance) C4'-P energy: -140.207
bonds (distance) P-C4' energy: -122.262
flat angles C4'-P-C4' energy: -141.501
flat angles P-C4'-P energy: -92.918
tors. eta vs tors. theta energy: -198.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -2199.388572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.388572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.388572 (E_RNA)
where:
Base-Base interactions energy: -1551.142
where: short stacking energy: -692.254
Base-Backbone interact. energy: -2.173
local terms energy: -646.073719
where:
bonds (distance) C4'-P energy: -110.923
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -139.470
flat angles P-C4'-P energy: -104.236
tors. eta vs tors. theta energy: -189.479
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: 6
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1990.345327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.345327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.345327 (E_RNA)
where:
Base-Base interactions energy: -1368.050
where: short stacking energy: -605.746
Base-Backbone interact. energy: 7.326
local terms energy: -629.621607
where:
bonds (distance) C4'-P energy: -119.876
bonds (distance) P-C4' energy: -133.013
flat angles C4'-P-C4' energy: -133.085
flat angles P-C4'-P energy: -83.937
tors. eta vs tors. theta energy: -159.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1668.083516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.083516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.083516 (E_RNA)
where:
Base-Base interactions energy: -1134.625
where: short stacking energy: -507.720
Base-Backbone interact. energy: -0.407
local terms energy: -533.051208
where:
bonds (distance) C4'-P energy: -106.373
bonds (distance) P-C4' energy: -120.438
flat angles C4'-P-C4' energy: -134.528
flat angles P-C4'-P energy: -58.637
tors. eta vs tors. theta energy: -113.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1446.215191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.215191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.215191 (E_RNA)
where:
Base-Base interactions energy: -969.695
where: short stacking energy: -424.208
Base-Backbone interact. energy: -2.010
local terms energy: -474.510234
where:
bonds (distance) C4'-P energy: -98.192
bonds (distance) P-C4' energy: -108.129
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -75.211
tors. eta vs tors. theta energy: -86.432
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: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1388.080190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.080190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.080190 (E_RNA)
where:
Base-Base interactions energy: -930.892
where: short stacking energy: -402.225
Base-Backbone interact. energy: -0.122
local terms energy: -457.065979
where:
bonds (distance) C4'-P energy: -94.325
bonds (distance) P-C4' energy: -124.213
flat angles C4'-P-C4' energy: -110.015
flat angles P-C4'-P energy: -62.473
tors. eta vs tors. theta energy: -66.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -907.176434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.176434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.176434 (E_RNA)
where:
Base-Base interactions energy: -528.879
where: short stacking energy: -274.263
Base-Backbone interact. energy: -1.665
local terms energy: -376.632359
where:
bonds (distance) C4'-P energy: -93.358
bonds (distance) P-C4' energy: -117.801
flat angles C4'-P-C4' energy: -97.069
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: -9.892
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: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2594.353799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.353799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.353799 (E_RNA)
where:
Base-Base interactions energy: -1828.310
where: short stacking energy: -777.190
Base-Backbone interact. energy: -3.782
local terms energy: -762.262229
where:
bonds (distance) C4'-P energy: -138.900
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -156.853
flat angles P-C4'-P energy: -104.796
tors. eta vs tors. theta energy: -216.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2504.135867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.135867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.135867 (E_RNA)
where:
Base-Base interactions energy: -1788.705
where: short stacking energy: -709.800
Base-Backbone interact. energy: -1.997
local terms energy: -713.434004
where:
bonds (distance) C4'-P energy: -124.179
bonds (distance) P-C4' energy: -130.462
flat angles C4'-P-C4' energy: -163.489
flat angles P-C4'-P energy: -96.940
tors. eta vs tors. theta energy: -198.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -2403.629741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.629741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.629741 (E_RNA)
where:
Base-Base interactions energy: -1691.366
where: short stacking energy: -704.250
Base-Backbone interact. energy: 0.191
local terms energy: -712.454681
where:
bonds (distance) C4'-P energy: -132.307
bonds (distance) P-C4' energy: -133.938
flat angles C4'-P-C4' energy: -146.666
flat angles P-C4'-P energy: -105.821
tors. eta vs tors. theta energy: -193.722
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: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2291.309715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.309715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.309715 (E_RNA)
where:
Base-Base interactions energy: -1595.712
where: short stacking energy: -686.563
Base-Backbone interact. energy: 0.241
local terms energy: -695.838607
where:
bonds (distance) C4'-P energy: -125.524
bonds (distance) P-C4' energy: -116.753
flat angles C4'-P-C4' energy: -146.469
flat angles P-C4'-P energy: -103.919
tors. eta vs tors. theta energy: -203.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -2157.022992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.022992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.022992 (E_RNA)
where:
Base-Base interactions energy: -1480.492
where: short stacking energy: -647.870
Base-Backbone interact. energy: -2.505
local terms energy: -674.026037
where:
bonds (distance) C4'-P energy: -118.837
bonds (distance) P-C4' energy: -139.031
flat angles C4'-P-C4' energy: -142.648
flat angles P-C4'-P energy: -101.213
tors. eta vs tors. theta energy: -172.297
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: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1991.083468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.083468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.083468 (E_RNA)
where:
Base-Base interactions energy: -1384.786
where: short stacking energy: -591.484
Base-Backbone interact. energy: -1.171
local terms energy: -605.125932
where:
bonds (distance) C4'-P energy: -128.430
bonds (distance) P-C4' energy: -105.473
flat angles C4'-P-C4' energy: -137.749
flat angles P-C4'-P energy: -82.218
tors. eta vs tors. theta energy: -151.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1741.349595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.349595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.349595 (E_RNA)
where:
Base-Base interactions energy: -1186.453
where: short stacking energy: -517.710
Base-Backbone interact. energy: 0.796
local terms energy: -555.692399
where:
bonds (distance) C4'-P energy: -127.643
bonds (distance) P-C4' energy: -109.014
flat angles C4'-P-C4' energy: -121.921
flat angles P-C4'-P energy: -74.028
tors. eta vs tors. theta energy: -123.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1451.999524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.999524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.999524 (E_RNA)
where:
Base-Base interactions energy: -913.796
where: short stacking energy: -409.283
Base-Backbone interact. energy: -1.898
local terms energy: -536.305616
where:
bonds (distance) C4'-P energy: -102.572
bonds (distance) P-C4' energy: -115.361
flat angles C4'-P-C4' energy: -125.922
flat angles P-C4'-P energy: -96.880
tors. eta vs tors. theta energy: -95.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1345.280469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.280469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.280469 (E_RNA)
where:
Base-Base interactions energy: -853.589
where: short stacking energy: -385.980
Base-Backbone interact. energy: -1.905
local terms energy: -489.786391
where:
bonds (distance) C4'-P energy: -107.845
bonds (distance) P-C4' energy: -107.351
flat angles C4'-P-C4' energy: -131.359
flat angles P-C4'-P energy: -78.799
tors. eta vs tors. theta energy: -64.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -900.991322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.991322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.991322 (E_RNA)
where:
Base-Base interactions energy: -494.107
where: short stacking energy: -262.213
Base-Backbone interact. energy: -1.083
local terms energy: -405.800824
where:
bonds (distance) C4'-P energy: -112.595
bonds (distance) P-C4' energy: -122.832
flat angles C4'-P-C4' energy: -94.212
flat angles P-C4'-P energy: -63.504
tors. eta vs tors. theta energy: -12.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2572.653803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.653803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.653803 (E_RNA)
where:
Base-Base interactions energy: -1806.235
where: short stacking energy: -764.916
Base-Backbone interact. energy: -4.220
local terms energy: -762.198754
where:
bonds (distance) C4'-P energy: -135.616
bonds (distance) P-C4' energy: -144.923
flat angles C4'-P-C4' energy: -152.140
flat angles P-C4'-P energy: -111.631
tors. eta vs tors. theta energy: -217.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2518.839592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.839592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.839592 (E_RNA)
where:
Base-Base interactions energy: -1784.086
where: short stacking energy: -734.111
Base-Backbone interact. energy: -8.498
local terms energy: -726.255661
where:
bonds (distance) C4'-P energy: -132.039
bonds (distance) P-C4' energy: -134.451
flat angles C4'-P-C4' energy: -149.963
flat angles P-C4'-P energy: -101.375
tors. eta vs tors. theta energy: -208.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2429.705134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.705134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.705134 (E_RNA)
where:
Base-Base interactions energy: -1753.176
where: short stacking energy: -699.500
Base-Backbone interact. energy: 1.397
local terms energy: -677.926309
where:
bonds (distance) C4'-P energy: -107.453
bonds (distance) P-C4' energy: -126.367
flat angles C4'-P-C4' energy: -154.154
flat angles P-C4'-P energy: -99.873
tors. eta vs tors. theta energy: -190.078
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: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2263.111246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.111246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.111246 (E_RNA)
where:
Base-Base interactions energy: -1535.261
where: short stacking energy: -665.269
Base-Backbone interact. energy: -1.417
local terms energy: -726.433397
where:
bonds (distance) C4'-P energy: -127.271
bonds (distance) P-C4' energy: -147.336
flat angles C4'-P-C4' energy: -155.303
flat angles P-C4'-P energy: -94.998
tors. eta vs tors. theta energy: -201.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -2166.785589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.785589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.785589 (E_RNA)
where:
Base-Base interactions energy: -1512.904
where: short stacking energy: -652.877
Base-Backbone interact. energy: -0.646
local terms energy: -653.236247
where:
bonds (distance) C4'-P energy: -105.169
bonds (distance) P-C4' energy: -131.758
flat angles C4'-P-C4' energy: -131.388
flat angles P-C4'-P energy: -91.820
tors. eta vs tors. theta energy: -193.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1996.877867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.877867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.877867 (E_RNA)
where:
Base-Base interactions energy: -1355.538
where: short stacking energy: -565.826
Base-Backbone interact. energy: -3.911
local terms energy: -637.429263
where:
bonds (distance) C4'-P energy: -134.657
bonds (distance) P-C4' energy: -138.335
flat angles C4'-P-C4' energy: -123.860
flat angles P-C4'-P energy: -91.704
tors. eta vs tors. theta energy: -148.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1688.598963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.598963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.598963 (E_RNA)
where:
Base-Base interactions energy: -1148.836
where: short stacking energy: -514.610
Base-Backbone interact. energy: -2.159
local terms energy: -537.604313
where:
bonds (distance) C4'-P energy: -115.997
bonds (distance) P-C4' energy: -115.928
flat angles C4'-P-C4' energy: -122.538
flat angles P-C4'-P energy: -59.836
tors. eta vs tors. theta energy: -123.306
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: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1471.585679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.585679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.585679 (E_RNA)
where:
Base-Base interactions energy: -941.158
where: short stacking energy: -436.282
Base-Backbone interact. energy: 2.813
local terms energy: -533.241169
where:
bonds (distance) C4'-P energy: -118.531
bonds (distance) P-C4' energy: -121.627
flat angles C4'-P-C4' energy: -110.044
flat angles P-C4'-P energy: -81.237
tors. eta vs tors. theta energy: -101.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1373.649464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.649464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.649464 (E_RNA)
where:
Base-Base interactions energy: -903.914
where: short stacking energy: -417.197
Base-Backbone interact. energy: 1.766
local terms energy: -471.501049
where:
bonds (distance) C4'-P energy: -109.714
bonds (distance) P-C4' energy: -90.863
flat angles C4'-P-C4' energy: -113.347
flat angles P-C4'-P energy: -83.488
tors. eta vs tors. theta energy: -74.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -1011.881865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.881865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.881865 (E_RNA)
where:
Base-Base interactions energy: -582.192
where: short stacking energy: -308.677
Base-Backbone interact. energy: 2.321
local terms energy: -432.011563
where:
bonds (distance) C4'-P energy: -97.517
bonds (distance) P-C4' energy: -112.861
flat angles C4'-P-C4' energy: -109.818
flat angles P-C4'-P energy: -83.637
tors. eta vs tors. theta energy: -28.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2620.827014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.827014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.827014 (E_RNA)
where:
Base-Base interactions energy: -1851.896
where: short stacking energy: -785.415
Base-Backbone interact. energy: -2.441
local terms energy: -766.489885
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -135.425
flat angles C4'-P-C4' energy: -162.829
flat angles P-C4'-P energy: -110.245
tors. eta vs tors. theta energy: -225.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2516.433871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.433871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.433871 (E_RNA)
where:
Base-Base interactions energy: -1794.445
where: short stacking energy: -739.207
Base-Backbone interact. energy: -1.492
local terms energy: -720.496792
where:
bonds (distance) C4'-P energy: -129.401
bonds (distance) P-C4' energy: -156.037
flat angles C4'-P-C4' energy: -137.198
flat angles P-C4'-P energy: -101.605
tors. eta vs tors. theta energy: -196.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2442.998422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.998422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.998422 (E_RNA)
where:
Base-Base interactions energy: -1740.979
where: short stacking energy: -691.180
Base-Backbone interact. energy: 1.019
local terms energy: -703.038319
where:
bonds (distance) C4'-P energy: -123.296
bonds (distance) P-C4' energy: -128.650
flat angles C4'-P-C4' energy: -162.060
flat angles P-C4'-P energy: -98.667
tors. eta vs tors. theta energy: -190.366
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: 4, replica: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2319.852854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.852854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.852854 (E_RNA)
where:
Base-Base interactions energy: -1622.133
where: short stacking energy: -742.305
Base-Backbone interact. energy: 0.699
local terms energy: -698.418209
where:
bonds (distance) C4'-P energy: -128.385
bonds (distance) P-C4' energy: -116.935
flat angles C4'-P-C4' energy: -156.021
flat angles P-C4'-P energy: -93.740
tors. eta vs tors. theta energy: -203.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -2195.798288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.798288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.798288 (E_RNA)
where:
Base-Base interactions energy: -1484.371
where: short stacking energy: -667.095
Base-Backbone interact. energy: -0.728
local terms energy: -710.699779
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -145.623
flat angles C4'-P-C4' energy: -151.399
flat angles P-C4'-P energy: -96.240
tors. eta vs tors. theta energy: -192.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1937.252229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.252229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.252229 (E_RNA)
where:
Base-Base interactions energy: -1349.800
where: short stacking energy: -564.750
Base-Backbone interact. energy: 0.088
local terms energy: -587.540401
where:
bonds (distance) C4'-P energy: -95.054
bonds (distance) P-C4' energy: -116.290
flat angles C4'-P-C4' energy: -152.307
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -147.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1713.893024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.893024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.893024 (E_RNA)
where:
Base-Base interactions energy: -1166.007
where: short stacking energy: -499.834
Base-Backbone interact. energy: 2.578
local terms energy: -550.463959
where:
bonds (distance) C4'-P energy: -106.464
bonds (distance) P-C4' energy: -119.590
flat angles C4'-P-C4' energy: -135.921
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -112.512
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: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1443.896179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.896179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.896179 (E_RNA)
where:
Base-Base interactions energy: -912.630
where: short stacking energy: -412.698
Base-Backbone interact. energy: -1.901
local terms energy: -529.364763
where:
bonds (distance) C4'-P energy: -116.148
bonds (distance) P-C4' energy: -114.480
flat angles C4'-P-C4' energy: -128.416
flat angles P-C4'-P energy: -71.576
tors. eta vs tors. theta energy: -98.745
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: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1308.486449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.486449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.486449 (E_RNA)
where:
Base-Base interactions energy: -845.615
where: short stacking energy: -383.051
Base-Backbone interact. energy: -2.282
local terms energy: -460.589193
where:
bonds (distance) C4'-P energy: -122.675
bonds (distance) P-C4' energy: -107.386
flat angles C4'-P-C4' energy: -103.829
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: -65.616
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: 10, replica: 8
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -898.958247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.958247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.958247 (E_RNA)
where:
Base-Base interactions energy: -513.070
where: short stacking energy: -263.681
Base-Backbone interact. energy: -1.487
local terms energy: -384.401021
where:
bonds (distance) C4'-P energy: -97.574
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -114.242
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -22.418
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: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2584.464500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.464500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.464500 (E_RNA)
where:
Base-Base interactions energy: -1849.861
where: short stacking energy: -776.644
Base-Backbone interact. energy: -5.575
local terms energy: -729.028203
where:
bonds (distance) C4'-P energy: -119.832
bonds (distance) P-C4' energy: -135.715
flat angles C4'-P-C4' energy: -159.663
flat angles P-C4'-P energy: -94.864
tors. eta vs tors. theta energy: -218.955
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: 2, replica: 3
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2487.985267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.985267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.985267 (E_RNA)
where:
Base-Base interactions energy: -1757.219
where: short stacking energy: -726.954
Base-Backbone interact. energy: -2.841
local terms energy: -727.925267
where:
bonds (distance) C4'-P energy: -113.878
bonds (distance) P-C4' energy: -144.146
flat angles C4'-P-C4' energy: -157.491
flat angles P-C4'-P energy: -115.845
tors. eta vs tors. theta energy: -196.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2434.761370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.761370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.761370 (E_RNA)
where:
Base-Base interactions energy: -1720.924
where: short stacking energy: -703.792
Base-Backbone interact. energy: -2.445
local terms energy: -711.392411
where:
bonds (distance) C4'-P energy: -136.219
bonds (distance) P-C4' energy: -127.673
flat angles C4'-P-C4' energy: -159.204
flat angles P-C4'-P energy: -95.065
tors. eta vs tors. theta energy: -193.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2321.719337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.719337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.719337 (E_RNA)
where:
Base-Base interactions energy: -1636.581
where: short stacking energy: -701.774
Base-Backbone interact. energy: -0.781
local terms energy: -684.356886
where:
bonds (distance) C4'-P energy: -117.871
bonds (distance) P-C4' energy: -147.569
flat angles C4'-P-C4' energy: -136.838
flat angles P-C4'-P energy: -87.422
tors. eta vs tors. theta energy: -194.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -2215.920822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.920822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.920822 (E_RNA)
where:
Base-Base interactions energy: -1512.501
where: short stacking energy: -675.773
Base-Backbone interact. energy: 1.036
local terms energy: -704.455639
where:
bonds (distance) C4'-P energy: -120.743
bonds (distance) P-C4' energy: -134.537
flat angles C4'-P-C4' energy: -156.892
flat angles P-C4'-P energy: -93.604
tors. eta vs tors. theta energy: -198.679
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: 6
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1958.178614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.178614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.178614 (E_RNA)
where:
Base-Base interactions energy: -1324.172
where: short stacking energy: -589.925
Base-Backbone interact. energy: -3.809
local terms energy: -630.197580
where:
bonds (distance) C4'-P energy: -130.757
bonds (distance) P-C4' energy: -114.684
flat angles C4'-P-C4' energy: -131.885
flat angles P-C4'-P energy: -94.588
tors. eta vs tors. theta energy: -158.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1770.189026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.189026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.189026 (E_RNA)
where:
Base-Base interactions energy: -1209.385
where: short stacking energy: -543.123
Base-Backbone interact. energy: 1.579
local terms energy: -562.383027
where:
bonds (distance) C4'-P energy: -110.282
bonds (distance) P-C4' energy: -114.299
flat angles C4'-P-C4' energy: -139.919
flat angles P-C4'-P energy: -70.123
tors. eta vs tors. theta energy: -127.760
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: 248
Temperature: 1.250000
Total energy: -1443.270816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.270816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.270816 (E_RNA)
where:
Base-Base interactions energy: -929.822
where: short stacking energy: -438.745
Base-Backbone interact. energy: -3.050
local terms energy: -510.399486
where:
bonds (distance) C4'-P energy: -109.454
bonds (distance) P-C4' energy: -123.739
flat angles C4'-P-C4' energy: -112.068
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -84.370
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: 9, replica: 1
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1318.922451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.922451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.922451 (E_RNA)
where:
Base-Base interactions energy: -859.561
where: short stacking energy: -395.363
Base-Backbone interact. energy: -3.180
local terms energy: -456.181331
where:
bonds (distance) C4'-P energy: -90.205
bonds (distance) P-C4' energy: -116.332
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -81.995
tors. eta vs tors. theta energy: -60.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -955.581680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.581680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.581680 (E_RNA)
where:
Base-Base interactions energy: -588.371
where: short stacking energy: -281.486
Base-Backbone interact. energy: -1.627
local terms energy: -365.583823
where:
bonds (distance) C4'-P energy: -87.486
bonds (distance) P-C4' energy: -86.755
flat angles C4'-P-C4' energy: -94.367
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: -36.936
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: 249
Temperature: 0.900000
Total energy: -2571.506509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.506509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.506509 (E_RNA)
where:
Base-Base interactions energy: -1807.017
where: short stacking energy: -776.906
Base-Backbone interact. energy: -6.511
local terms energy: -757.978864
where:
bonds (distance) C4'-P energy: -138.821
bonds (distance) P-C4' energy: -138.281
flat angles C4'-P-C4' energy: -161.231
flat angles P-C4'-P energy: -97.427
tors. eta vs tors. theta energy: -222.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2494.642797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.642797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.642797 (E_RNA)
where:
Base-Base interactions energy: -1788.961
where: short stacking energy: -730.192
Base-Backbone interact. energy: -6.948
local terms energy: -698.734385
where:
bonds (distance) C4'-P energy: -127.877
bonds (distance) P-C4' energy: -135.221
flat angles C4'-P-C4' energy: -142.516
flat angles P-C4'-P energy: -97.726
tors. eta vs tors. theta energy: -195.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -2448.369917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.369917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.369917 (E_RNA)
where:
Base-Base interactions energy: -1742.725
where: short stacking energy: -717.672
Base-Backbone interact. energy: -0.200
local terms energy: -705.444364
where:
bonds (distance) C4'-P energy: -136.322
bonds (distance) P-C4' energy: -113.102
flat angles C4'-P-C4' energy: -153.163
flat angles P-C4'-P energy: -101.512
tors. eta vs tors. theta energy: -201.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2292.926775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.926775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.926775 (E_RNA)
where:
Base-Base interactions energy: -1598.830
where: short stacking energy: -679.254
Base-Backbone interact. energy: -4.852
local terms energy: -689.244695
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -131.813
flat angles C4'-P-C4' energy: -149.985
flat angles P-C4'-P energy: -100.591
tors. eta vs tors. theta energy: -201.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -2181.116682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.116682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.116682 (E_RNA)
where:
Base-Base interactions energy: -1492.225
where: short stacking energy: -673.363
Base-Backbone interact. energy: -0.013
local terms energy: -688.879231
where:
bonds (distance) C4'-P energy: -119.453
bonds (distance) P-C4' energy: -116.290
flat angles C4'-P-C4' energy: -160.788
flat angles P-C4'-P energy: -102.511
tors. eta vs tors. theta energy: -189.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1965.160524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.160524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.160524 (E_RNA)
where:
Base-Base interactions energy: -1355.849
where: short stacking energy: -555.908
Base-Backbone interact. energy: -2.023
local terms energy: -607.288986
where:
bonds (distance) C4'-P energy: -114.527
bonds (distance) P-C4' energy: -119.692
flat angles C4'-P-C4' energy: -142.185
flat angles P-C4'-P energy: -88.329
tors. eta vs tors. theta energy: -142.556
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: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1713.933931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.933931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.933931 (E_RNA)
where:
Base-Base interactions energy: -1191.316
where: short stacking energy: -501.672
Base-Backbone interact. energy: -4.609
local terms energy: -518.008731
where:
bonds (distance) C4'-P energy: -103.743
bonds (distance) P-C4' energy: -115.810
flat angles C4'-P-C4' energy: -116.613
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: -108.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1417.276650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.276650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.276650 (E_RNA)
where:
Base-Base interactions energy: -924.217
where: short stacking energy: -402.686
Base-Backbone interact. energy: -1.494
local terms energy: -491.565544
where:
bonds (distance) C4'-P energy: -113.772
bonds (distance) P-C4' energy: -108.077
flat angles C4'-P-C4' energy: -119.718
flat angles P-C4'-P energy: -67.791
tors. eta vs tors. theta energy: -82.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1273.787454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.787454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.787454 (E_RNA)
where:
Base-Base interactions energy: -796.179
where: short stacking energy: -377.580
Base-Backbone interact. energy: -1.968
local terms energy: -475.640584
where:
bonds (distance) C4'-P energy: -110.180
bonds (distance) P-C4' energy: -127.173
flat angles C4'-P-C4' energy: -110.684
flat angles P-C4'-P energy: -57.711
tors. eta vs tors. theta energy: -69.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -945.478378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.478378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.478378 (E_RNA)
where:
Base-Base interactions energy: -549.905
where: short stacking energy: -282.836
Base-Backbone interact. energy: -4.194
local terms energy: -391.380025
where:
bonds (distance) C4'-P energy: -111.835
bonds (distance) P-C4' energy: -104.813
flat angles C4'-P-C4' energy: -103.395
flat angles P-C4'-P energy: -49.193
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2587.024090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.024090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.024090 (E_RNA)
where:
Base-Base interactions energy: -1818.376
where: short stacking energy: -767.353
Base-Backbone interact. energy: -1.277
local terms energy: -767.371313
where:
bonds (distance) C4'-P energy: -138.455
bonds (distance) P-C4' energy: -144.252
flat angles C4'-P-C4' energy: -155.190
flat angles P-C4'-P energy: -103.212
tors. eta vs tors. theta energy: -226.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2460.588416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.588416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.588416 (E_RNA)
where:
Base-Base interactions energy: -1757.808
where: short stacking energy: -717.379
Base-Backbone interact. energy: -1.285
local terms energy: -701.496253
where:
bonds (distance) C4'-P energy: -122.626
bonds (distance) P-C4' energy: -136.445
flat angles C4'-P-C4' energy: -143.606
flat angles P-C4'-P energy: -105.485
tors. eta vs tors. theta energy: -193.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2440.354080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.354080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.354080 (E_RNA)
where:
Base-Base interactions energy: -1746.099
where: short stacking energy: -723.049
Base-Backbone interact. energy: 0.689
local terms energy: -694.944535
where:
bonds (distance) C4'-P energy: -135.088
bonds (distance) P-C4' energy: -117.157
flat angles C4'-P-C4' energy: -162.713
flat angles P-C4'-P energy: -94.008
tors. eta vs tors. theta energy: -185.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2280.222541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.222541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.222541 (E_RNA)
where:
Base-Base interactions energy: -1591.034
where: short stacking energy: -690.104
Base-Backbone interact. energy: -1.100
local terms energy: -688.089029
where:
bonds (distance) C4'-P energy: -131.312
bonds (distance) P-C4' energy: -129.920
flat angles C4'-P-C4' energy: -147.125
flat angles P-C4'-P energy: -93.793
tors. eta vs tors. theta energy: -185.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -2162.605129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.605129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.605129 (E_RNA)
where:
Base-Base interactions energy: -1510.035
where: short stacking energy: -657.245
Base-Backbone interact. energy: -0.666
local terms energy: -651.903881
where:
bonds (distance) C4'-P energy: -113.296
bonds (distance) P-C4' energy: -118.598
flat angles C4'-P-C4' energy: -143.523
flat angles P-C4'-P energy: -90.723
tors. eta vs tors. theta energy: -185.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -2006.206913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.206913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.206913 (E_RNA)
where:
Base-Base interactions energy: -1358.659
where: short stacking energy: -613.541
Base-Backbone interact. energy: -0.930
local terms energy: -646.617941
where:
bonds (distance) C4'-P energy: -110.328
bonds (distance) P-C4' energy: -141.631
flat angles C4'-P-C4' energy: -144.477
flat angles P-C4'-P energy: -88.546
tors. eta vs tors. theta energy: -161.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1694.391069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.391069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.391069 (E_RNA)
where:
Base-Base interactions energy: -1125.349
where: short stacking energy: -486.687
Base-Backbone interact. energy: -1.117
local terms energy: -567.924954
where:
bonds (distance) C4'-P energy: -122.921
bonds (distance) P-C4' energy: -112.636
flat angles C4'-P-C4' energy: -128.006
flat angles P-C4'-P energy: -101.631
tors. eta vs tors. theta energy: -102.731
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1444.069029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.069029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.069029 (E_RNA)
where:
Base-Base interactions energy: -939.160
where: short stacking energy: -439.996
Base-Backbone interact. energy: -2.477
local terms energy: -502.431714
where:
bonds (distance) C4'-P energy: -118.292
bonds (distance) P-C4' energy: -121.461
flat angles C4'-P-C4' energy: -103.423
flat angles P-C4'-P energy: -69.198
tors. eta vs tors. theta energy: -90.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1274.719214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.719214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.719214 (E_RNA)
where:
Base-Base interactions energy: -805.557
where: short stacking energy: -355.838
Base-Backbone interact. energy: -0.776
local terms energy: -468.386438
where:
bonds (distance) C4'-P energy: -90.023
bonds (distance) P-C4' energy: -118.460
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -75.961
tors. eta vs tors. theta energy: -66.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -988.458416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.458416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.458416 (E_RNA)
where:
Base-Base interactions energy: -551.370
where: short stacking energy: -295.460
Base-Backbone interact. energy: 0.954
local terms energy: -438.041838
where:
bonds (distance) C4'-P energy: -106.644
bonds (distance) P-C4' energy: -125.114
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -27.905
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: 251
Temperature: 0.900000
Total energy: -2589.980575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.980575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.980575 (E_RNA)
where:
Base-Base interactions energy: -1821.405
where: short stacking energy: -795.936
Base-Backbone interact. energy: -3.395
local terms energy: -765.181292
where:
bonds (distance) C4'-P energy: -130.380
bonds (distance) P-C4' energy: -138.320
flat angles C4'-P-C4' energy: -168.387
flat angles P-C4'-P energy: -101.732
tors. eta vs tors. theta energy: -226.362
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: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2478.790253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.790253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.790253 (E_RNA)
where:
Base-Base interactions energy: -1713.691
where: short stacking energy: -695.171
Base-Backbone interact. energy: -4.455
local terms energy: -760.644847
where:
bonds (distance) C4'-P energy: -139.131
bonds (distance) P-C4' energy: -146.016
flat angles C4'-P-C4' energy: -166.423
flat angles P-C4'-P energy: -107.150
tors. eta vs tors. theta energy: -201.925
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: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2427.481812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.481812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.481812 (E_RNA)
where:
Base-Base interactions energy: -1724.498
where: short stacking energy: -689.678
Base-Backbone interact. energy: -2.273
local terms energy: -700.710908
where:
bonds (distance) C4'-P energy: -122.404
bonds (distance) P-C4' energy: -148.326
flat angles C4'-P-C4' energy: -145.827
flat angles P-C4'-P energy: -99.898
tors. eta vs tors. theta energy: -184.256
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: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2309.347378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.347378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.347378 (E_RNA)
where:
Base-Base interactions energy: -1615.485
where: short stacking energy: -709.337
Base-Backbone interact. energy: 4.181
local terms energy: -698.043782
where:
bonds (distance) C4'-P energy: -128.026
bonds (distance) P-C4' energy: -131.211
flat angles C4'-P-C4' energy: -141.355
flat angles P-C4'-P energy: -97.904
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: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -2170.616827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.616827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.616827 (E_RNA)
where:
Base-Base interactions energy: -1502.805
where: short stacking energy: -654.154
Base-Backbone interact. energy: -1.663
local terms energy: -666.148652
where:
bonds (distance) C4'-P energy: -127.650
bonds (distance) P-C4' energy: -115.609
flat angles C4'-P-C4' energy: -145.204
flat angles P-C4'-P energy: -88.644
tors. eta vs tors. theta energy: -189.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -2015.732846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.732846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.732846 (E_RNA)
where:
Base-Base interactions energy: -1394.988
where: short stacking energy: -593.928
Base-Backbone interact. energy: 0.467
local terms energy: -621.212455
where:
bonds (distance) C4'-P energy: -115.298
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -135.403
flat angles P-C4'-P energy: -90.142
tors. eta vs tors. theta energy: -156.187
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: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1704.153427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.153427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.153427 (E_RNA)
where:
Base-Base interactions energy: -1142.483
where: short stacking energy: -506.200
Base-Backbone interact. energy: -2.702
local terms energy: -558.968682
where:
bonds (distance) C4'-P energy: -117.827
bonds (distance) P-C4' energy: -126.761
flat angles C4'-P-C4' energy: -125.936
flat angles P-C4'-P energy: -81.723
tors. eta vs tors. theta energy: -106.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1377.714066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.714066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.714066 (E_RNA)
where:
Base-Base interactions energy: -895.687
where: short stacking energy: -403.091
Base-Backbone interact. energy: -1.370
local terms energy: -480.657158
where:
bonds (distance) C4'-P energy: -101.575
bonds (distance) P-C4' energy: -115.816
flat angles C4'-P-C4' energy: -110.990
flat angles P-C4'-P energy: -66.462
tors. eta vs tors. theta energy: -85.813
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: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1213.279061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.279061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.279061 (E_RNA)
where:
Base-Base interactions energy: -762.532
where: short stacking energy: -369.043
Base-Backbone interact. energy: 2.397
local terms energy: -453.144551
where:
bonds (distance) C4'-P energy: -101.362
bonds (distance) P-C4' energy: -118.614
flat angles C4'-P-C4' energy: -111.688
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -46.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -947.708334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.708334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.708334 (E_RNA)
where:
Base-Base interactions energy: -544.432
where: short stacking energy: -271.793
Base-Backbone interact. energy: -1.433
local terms energy: -401.843780
where:
bonds (distance) C4'-P energy: -127.353
bonds (distance) P-C4' energy: -131.386
flat angles C4'-P-C4' energy: -97.697
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2566.195770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.195770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.195770 (E_RNA)
where:
Base-Base interactions energy: -1806.195
where: short stacking energy: -766.727
Base-Backbone interact. energy: -4.002
local terms energy: -755.998631
where:
bonds (distance) C4'-P energy: -135.213
bonds (distance) P-C4' energy: -132.861
flat angles C4'-P-C4' energy: -148.409
flat angles P-C4'-P energy: -113.440
tors. eta vs tors. theta energy: -226.076
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: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2465.410340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.410340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.410340 (E_RNA)
where:
Base-Base interactions energy: -1731.648
where: short stacking energy: -713.356
Base-Backbone interact. energy: -3.450
local terms energy: -730.312344
where:
bonds (distance) C4'-P energy: -132.203
bonds (distance) P-C4' energy: -136.984
flat angles C4'-P-C4' energy: -163.154
flat angles P-C4'-P energy: -106.992
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2362.454637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.454637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.454637 (E_RNA)
where:
Base-Base interactions energy: -1638.710
where: short stacking energy: -713.348
Base-Backbone interact. energy: -1.995
local terms energy: -721.749540
where:
bonds (distance) C4'-P energy: -123.986
bonds (distance) P-C4' energy: -144.200
flat angles C4'-P-C4' energy: -156.092
flat angles P-C4'-P energy: -87.556
tors. eta vs tors. theta energy: -209.916
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: 252
Temperature: 1.050000
Total energy: -2368.210484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.210484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.210484 (E_RNA)
where:
Base-Base interactions energy: -1691.444
where: short stacking energy: -697.142
Base-Backbone interact. energy: -1.826
local terms energy: -674.940238
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -119.861
flat angles C4'-P-C4' energy: -150.919
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -190.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -2204.307301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.307301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.307301 (E_RNA)
where:
Base-Base interactions energy: -1520.538
where: short stacking energy: -689.102
Base-Backbone interact. energy: -2.011
local terms energy: -681.758422
where:
bonds (distance) C4'-P energy: -120.834
bonds (distance) P-C4' energy: -130.183
flat angles C4'-P-C4' energy: -143.728
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: -204.053
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: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1964.345620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.345620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.345620 (E_RNA)
where:
Base-Base interactions energy: -1381.821
where: short stacking energy: -576.922
Base-Backbone interact. energy: 1.395
local terms energy: -583.920126
where:
bonds (distance) C4'-P energy: -120.411
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -131.029
flat angles P-C4'-P energy: -80.357
tors. eta vs tors. theta energy: -147.564
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: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1662.699412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.699412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.699412 (E_RNA)
where:
Base-Base interactions energy: -1129.060
where: short stacking energy: -480.979
Base-Backbone interact. energy: -4.666
local terms energy: -528.972657
where:
bonds (distance) C4'-P energy: -110.304
bonds (distance) P-C4' energy: -113.141
flat angles C4'-P-C4' energy: -127.097
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -107.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1439.075995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.075995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.075995 (E_RNA)
where:
Base-Base interactions energy: -952.553
where: short stacking energy: -421.562
Base-Backbone interact. energy: -3.170
local terms energy: -483.352520
where:
bonds (distance) C4'-P energy: -96.433
bonds (distance) P-C4' energy: -110.278
flat angles C4'-P-C4' energy: -131.394
flat angles P-C4'-P energy: -61.837
tors. eta vs tors. theta energy: -83.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1302.423867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.423867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.423867 (E_RNA)
where:
Base-Base interactions energy: -851.691
where: short stacking energy: -343.497
Base-Backbone interact. energy: -1.367
local terms energy: -449.366095
where:
bonds (distance) C4'-P energy: -94.974
bonds (distance) P-C4' energy: -112.033
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -69.731
tors. eta vs tors. theta energy: -45.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -960.374916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.374916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.374916 (E_RNA)
where:
Base-Base interactions energy: -581.698
where: short stacking energy: -293.129
Base-Backbone interact. energy: -2.518
local terms energy: -376.158873
where:
bonds (distance) C4'-P energy: -86.728
bonds (distance) P-C4' energy: -103.829
flat angles C4'-P-C4' energy: -97.627
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -42.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2557.923039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.923039 (E_RNA)
where:
Base-Base interactions energy: -1818.543
where: short stacking energy: -764.494
Base-Backbone interact. energy: -0.461
local terms energy: -738.919168
where:
bonds (distance) C4'-P energy: -133.732
bonds (distance) P-C4' energy: -135.211
flat angles C4'-P-C4' energy: -152.479
flat angles P-C4'-P energy: -95.323
tors. eta vs tors. theta energy: -222.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2476.829085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.829085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.829085 (E_RNA)
where:
Base-Base interactions energy: -1736.539
where: short stacking energy: -741.291
Base-Backbone interact. energy: 1.688
local terms energy: -741.978284
where:
bonds (distance) C4'-P energy: -142.865
bonds (distance) P-C4' energy: -146.138
flat angles C4'-P-C4' energy: -155.741
flat angles P-C4'-P energy: -104.215
tors. eta vs tors. theta energy: -193.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2360.334370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.334370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.334370 (E_RNA)
where:
Base-Base interactions energy: -1666.832
where: short stacking energy: -720.213
Base-Backbone interact. energy: -0.387
local terms energy: -693.115381
where:
bonds (distance) C4'-P energy: -125.369
bonds (distance) P-C4' energy: -123.857
flat angles C4'-P-C4' energy: -144.009
flat angles P-C4'-P energy: -94.819
tors. eta vs tors. theta energy: -205.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2362.942509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.942509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.942509 (E_RNA)
where:
Base-Base interactions energy: -1703.702
where: short stacking energy: -696.977
Base-Backbone interact. energy: 0.127
local terms energy: -659.367361
where:
bonds (distance) C4'-P energy: -115.375
bonds (distance) P-C4' energy: -126.792
flat angles C4'-P-C4' energy: -143.885
flat angles P-C4'-P energy: -81.267
tors. eta vs tors. theta energy: -192.048
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2186.920558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.920558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.920558 (E_RNA)
where:
Base-Base interactions energy: -1501.858
where: short stacking energy: -669.292
Base-Backbone interact. energy: -1.864
local terms energy: -683.198013
where:
bonds (distance) C4'-P energy: -112.579
bonds (distance) P-C4' energy: -120.039
flat angles C4'-P-C4' energy: -160.230
flat angles P-C4'-P energy: -91.545
tors. eta vs tors. theta energy: -198.805
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: 6
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1990.576938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.576938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.576938 (E_RNA)
where:
Base-Base interactions energy: -1391.010
where: short stacking energy: -601.071
Base-Backbone interact. energy: -3.547
local terms energy: -596.020081
where:
bonds (distance) C4'-P energy: -113.419
bonds (distance) P-C4' energy: -133.910
flat angles C4'-P-C4' energy: -132.391
flat angles P-C4'-P energy: -67.638
tors. eta vs tors. theta energy: -148.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1667.833126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.833126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.833126 (E_RNA)
where:
Base-Base interactions energy: -1095.441
where: short stacking energy: -486.519
Base-Backbone interact. energy: -1.680
local terms energy: -570.711956
where:
bonds (distance) C4'-P energy: -109.386
bonds (distance) P-C4' energy: -124.875
flat angles C4'-P-C4' energy: -135.384
flat angles P-C4'-P energy: -93.980
tors. eta vs tors. theta energy: -107.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1474.298614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.298614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.298614 (E_RNA)
where:
Base-Base interactions energy: -962.224
where: short stacking energy: -435.825
Base-Backbone interact. energy: -0.581
local terms energy: -511.493870
where:
bonds (distance) C4'-P energy: -104.066
bonds (distance) P-C4' energy: -128.133
flat angles C4'-P-C4' energy: -118.109
flat angles P-C4'-P energy: -76.537
tors. eta vs tors. theta energy: -84.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1295.722966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.722966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.722966 (E_RNA)
where:
Base-Base interactions energy: -821.439
where: short stacking energy: -371.608
Base-Backbone interact. energy: -4.312
local terms energy: -469.971000
where:
bonds (distance) C4'-P energy: -101.075
bonds (distance) P-C4' energy: -121.736
flat angles C4'-P-C4' energy: -110.237
flat angles P-C4'-P energy: -81.427
tors. eta vs tors. theta energy: -55.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -911.764342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.764342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.764342 (E_RNA)
where:
Base-Base interactions energy: -485.273
where: short stacking energy: -244.596
Base-Backbone interact. energy: -2.692
local terms energy: -423.798808
where:
bonds (distance) C4'-P energy: -113.030
bonds (distance) P-C4' energy: -117.364
flat angles C4'-P-C4' energy: -107.318
flat angles P-C4'-P energy: -67.544
tors. eta vs tors. theta energy: -18.543
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: 254
Temperature: 0.900000
Total energy: -2551.742611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.742611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.742611 (E_RNA)
where:
Base-Base interactions energy: -1787.095
where: short stacking energy: -761.266
Base-Backbone interact. energy: 0.056
local terms energy: -764.703770
where:
bonds (distance) C4'-P energy: -135.499
bonds (distance) P-C4' energy: -133.524
flat angles C4'-P-C4' energy: -168.251
flat angles P-C4'-P energy: -107.015
tors. eta vs tors. theta energy: -220.415
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: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2496.592583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.592583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.592583 (E_RNA)
where:
Base-Base interactions energy: -1767.137
where: short stacking energy: -752.788
Base-Backbone interact. energy: -1.008
local terms energy: -728.446944
where:
bonds (distance) C4'-P energy: -129.659
bonds (distance) P-C4' energy: -146.060
flat angles C4'-P-C4' energy: -155.636
flat angles P-C4'-P energy: -98.257
tors. eta vs tors. theta energy: -198.834
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: 3
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2406.716512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.716512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.716512 (E_RNA)
where:
Base-Base interactions energy: -1712.189
where: short stacking energy: -697.538
Base-Backbone interact. energy: 2.112
local terms energy: -696.639866
where:
bonds (distance) C4'-P energy: -127.952
bonds (distance) P-C4' energy: -132.212
flat angles C4'-P-C4' energy: -144.032
flat angles P-C4'-P energy: -102.836
tors. eta vs tors. theta energy: -189.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2311.633441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.633441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.633441 (E_RNA)
where:
Base-Base interactions energy: -1625.087
where: short stacking energy: -704.493
Base-Backbone interact. energy: -1.017
local terms energy: -685.529416
where:
bonds (distance) C4'-P energy: -137.843
bonds (distance) P-C4' energy: -116.482
flat angles C4'-P-C4' energy: -148.850
flat angles P-C4'-P energy: -86.074
tors. eta vs tors. theta energy: -196.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -2191.416094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.416094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.416094 (E_RNA)
where:
Base-Base interactions energy: -1499.598
where: short stacking energy: -682.700
Base-Backbone interact. energy: -2.662
local terms energy: -689.156333
where:
bonds (distance) C4'-P energy: -120.138
bonds (distance) P-C4' energy: -140.056
flat angles C4'-P-C4' energy: -137.400
flat angles P-C4'-P energy: -87.155
tors. eta vs tors. theta energy: -204.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -2036.383708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.383708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.383708 (E_RNA)
where:
Base-Base interactions energy: -1407.192
where: short stacking energy: -590.801
Base-Backbone interact. energy: 6.175
local terms energy: -635.366862
where:
bonds (distance) C4'-P energy: -132.619
bonds (distance) P-C4' energy: -135.833
flat angles C4'-P-C4' energy: -135.762
flat angles P-C4'-P energy: -89.320
tors. eta vs tors. theta energy: -141.832
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: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1613.183641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.183641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.183641 (E_RNA)
where:
Base-Base interactions energy: -1066.773
where: short stacking energy: -470.087
Base-Backbone interact. energy: -3.741
local terms energy: -542.669524
where:
bonds (distance) C4'-P energy: -105.759
bonds (distance) P-C4' energy: -119.207
flat angles C4'-P-C4' energy: -119.204
flat angles P-C4'-P energy: -97.200
tors. eta vs tors. theta energy: -101.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1427.409914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.409914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.409914 (E_RNA)
where:
Base-Base interactions energy: -915.377
where: short stacking energy: -447.237
Base-Backbone interact. energy: -2.042
local terms energy: -509.990511
where:
bonds (distance) C4'-P energy: -105.083
bonds (distance) P-C4' energy: -111.302
flat angles C4'-P-C4' energy: -124.607
flat angles P-C4'-P energy: -57.345
tors. eta vs tors. theta energy: -111.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1263.215004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.215004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.215004 (E_RNA)
where:
Base-Base interactions energy: -816.740
where: short stacking energy: -347.674
Base-Backbone interact. energy: -3.316
local terms energy: -443.158507
where:
bonds (distance) C4'-P energy: -110.945
bonds (distance) P-C4' energy: -110.020
flat angles C4'-P-C4' energy: -115.223
flat angles P-C4'-P energy: -67.901
tors. eta vs tors. theta energy: -39.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -965.901633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.901633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.901633 (E_RNA)
where:
Base-Base interactions energy: -578.046
where: short stacking energy: -276.003
Base-Backbone interact. energy: 2.549
local terms energy: -390.404629
where:
bonds (distance) C4'-P energy: -104.011
bonds (distance) P-C4' energy: -105.082
flat angles C4'-P-C4' energy: -89.854
flat angles P-C4'-P energy: -66.646
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2571.594607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.594607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.594607 (E_RNA)
where:
Base-Base interactions energy: -1811.461
where: short stacking energy: -739.401
Base-Backbone interact. energy: -1.241
local terms energy: -758.892252
where:
bonds (distance) C4'-P energy: -144.370
bonds (distance) P-C4' energy: -139.881
flat angles C4'-P-C4' energy: -155.100
flat angles P-C4'-P energy: -106.861
tors. eta vs tors. theta energy: -212.681
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: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2490.732093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.732093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.732093 (E_RNA)
where:
Base-Base interactions energy: -1743.526
where: short stacking energy: -699.626
Base-Backbone interact. energy: 0.329
local terms energy: -747.535023
where:
bonds (distance) C4'-P energy: -134.501
bonds (distance) P-C4' energy: -147.026
flat angles C4'-P-C4' energy: -160.127
flat angles P-C4'-P energy: -110.142
tors. eta vs tors. theta energy: -195.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2436.142774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.142774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.142774 (E_RNA)
where:
Base-Base interactions energy: -1743.830
where: short stacking energy: -699.118
Base-Backbone interact. energy: -5.747
local terms energy: -686.565705
where:
bonds (distance) C4'-P energy: -119.454
bonds (distance) P-C4' energy: -122.390
flat angles C4'-P-C4' energy: -156.870
flat angles P-C4'-P energy: -102.695
tors. eta vs tors. theta energy: -185.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2300.403303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.403303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.403303 (E_RNA)
where:
Base-Base interactions energy: -1608.221
where: short stacking energy: -695.560
Base-Backbone interact. energy: 0.637
local terms energy: -692.819644
where:
bonds (distance) C4'-P energy: -126.355
bonds (distance) P-C4' energy: -136.879
flat angles C4'-P-C4' energy: -144.735
flat angles P-C4'-P energy: -88.916
tors. eta vs tors. theta energy: -195.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -2179.908870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.908870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.908870 (E_RNA)
where:
Base-Base interactions energy: -1525.472
where: short stacking energy: -661.831
Base-Backbone interact. energy: -1.811
local terms energy: -652.626014
where:
bonds (distance) C4'-P energy: -128.436
bonds (distance) P-C4' energy: -124.140
flat angles C4'-P-C4' energy: -141.686
flat angles P-C4'-P energy: -74.326
tors. eta vs tors. theta energy: -184.038
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -2022.489692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.489692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.489692 (E_RNA)
where:
Base-Base interactions energy: -1426.729
where: short stacking energy: -608.654
Base-Backbone interact. energy: 1.152
local terms energy: -596.912865
where:
bonds (distance) C4'-P energy: -106.686
bonds (distance) P-C4' energy: -122.493
flat angles C4'-P-C4' energy: -134.694
flat angles P-C4'-P energy: -78.310
tors. eta vs tors. theta energy: -154.729
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: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1712.126797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.126797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.126797 (E_RNA)
where:
Base-Base interactions energy: -1117.345
where: short stacking energy: -488.268
Base-Backbone interact. energy: -6.358
local terms energy: -588.423637
where:
bonds (distance) C4'-P energy: -126.309
bonds (distance) P-C4' energy: -126.066
flat angles C4'-P-C4' energy: -135.092
flat angles P-C4'-P energy: -86.077
tors. eta vs tors. theta energy: -114.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1393.645832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.645832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.645832 (E_RNA)
where:
Base-Base interactions energy: -895.038
where: short stacking energy: -384.794
Base-Backbone interact. energy: -0.776
local terms energy: -497.832296
where:
bonds (distance) C4'-P energy: -106.564
bonds (distance) P-C4' energy: -122.300
flat angles C4'-P-C4' energy: -113.912
flat angles P-C4'-P energy: -85.307
tors. eta vs tors. theta energy: -69.748
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: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1212.979309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.979309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.979309 (E_RNA)
where:
Base-Base interactions energy: -780.320
where: short stacking energy: -361.011
Base-Backbone interact. energy: 1.403
local terms energy: -434.062631
where:
bonds (distance) C4'-P energy: -115.607
bonds (distance) P-C4' energy: -127.578
flat angles C4'-P-C4' energy: -101.660
flat angles P-C4'-P energy: -58.176
tors. eta vs tors. theta energy: -31.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -909.921759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.921759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.921759 (E_RNA)
where:
Base-Base interactions energy: -541.567
where: short stacking energy: -269.304
Base-Backbone interact. energy: -2.001
local terms energy: -366.353555
where:
bonds (distance) C4'-P energy: -106.459
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -93.950
flat angles P-C4'-P energy: -63.890
tors. eta vs tors. theta energy: 0.547
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: 256
Temperature: 0.900000
Total energy: -2554.644502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.644502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.644502 (E_RNA)
where:
Base-Base interactions energy: -1798.890
where: short stacking energy: -751.303
Base-Backbone interact. energy: -3.725
local terms energy: -752.029838
where:
bonds (distance) C4'-P energy: -138.359
bonds (distance) P-C4' energy: -146.168
flat angles C4'-P-C4' energy: -155.475
flat angles P-C4'-P energy: -105.868
tors. eta vs tors. theta energy: -206.159
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2496.304149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.304149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.304149 (E_RNA)
where:
Base-Base interactions energy: -1766.022
where: short stacking energy: -727.642
Base-Backbone interact. energy: -1.232
local terms energy: -729.049391
where:
bonds (distance) C4'-P energy: -125.460
bonds (distance) P-C4' energy: -149.576
flat angles C4'-P-C4' energy: -151.860
flat angles P-C4'-P energy: -104.829
tors. eta vs tors. theta energy: -197.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2477.415646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.415646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.415646 (E_RNA)
where:
Base-Base interactions energy: -1767.829
where: short stacking energy: -734.924
Base-Backbone interact. energy: 3.010
local terms energy: -712.596913
where:
bonds (distance) C4'-P energy: -126.068
bonds (distance) P-C4' energy: -137.373
flat angles C4'-P-C4' energy: -149.261
flat angles P-C4'-P energy: -102.115
tors. eta vs tors. theta energy: -197.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2309.858416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.858416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.858416 (E_RNA)
where:
Base-Base interactions energy: -1615.705
where: short stacking energy: -681.727
Base-Backbone interact. energy: -2.046
local terms energy: -692.107987
where:
bonds (distance) C4'-P energy: -120.851
bonds (distance) P-C4' energy: -122.935
flat angles C4'-P-C4' energy: -156.168
flat angles P-C4'-P energy: -91.954
tors. eta vs tors. theta energy: -200.200
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: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2134.897238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.897238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.897238 (E_RNA)
where:
Base-Base interactions energy: -1456.676
where: short stacking energy: -652.200
Base-Backbone interact. energy: -1.724
local terms energy: -676.497956
where:
bonds (distance) C4'-P energy: -125.508
bonds (distance) P-C4' energy: -130.208
flat angles C4'-P-C4' energy: -145.888
flat angles P-C4'-P energy: -85.410
tors. eta vs tors. theta energy: -189.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -2059.740426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.740426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.740426 (E_RNA)
where:
Base-Base interactions energy: -1419.019
where: short stacking energy: -607.010
Base-Backbone interact. energy: 0.990
local terms energy: -641.711006
where:
bonds (distance) C4'-P energy: -126.798
bonds (distance) P-C4' energy: -128.497
flat angles C4'-P-C4' energy: -145.995
flat angles P-C4'-P energy: -77.561
tors. eta vs tors. theta energy: -162.860
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: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1737.909006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.909006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.909006 (E_RNA)
where:
Base-Base interactions energy: -1188.987
where: short stacking energy: -532.544
Base-Backbone interact. energy: -4.435
local terms energy: -544.487351
where:
bonds (distance) C4'-P energy: -103.872
bonds (distance) P-C4' energy: -126.402
flat angles C4'-P-C4' energy: -128.071
flat angles P-C4'-P energy: -67.606
tors. eta vs tors. theta energy: -118.536
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: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1429.116136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.116136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.116136 (E_RNA)
where:
Base-Base interactions energy: -943.685
where: short stacking energy: -408.830
Base-Backbone interact. energy: -2.512
local terms energy: -482.920052
where:
bonds (distance) C4'-P energy: -100.413
bonds (distance) P-C4' energy: -129.088
flat angles C4'-P-C4' energy: -105.313
flat angles P-C4'-P energy: -62.377
tors. eta vs tors. theta energy: -85.730
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: 9, replica: 1
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1227.329498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.329498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.329498 (E_RNA)
where:
Base-Base interactions energy: -767.792
where: short stacking energy: -357.894
Base-Backbone interact. energy: 9.817
local terms energy: -469.354511
where:
bonds (distance) C4'-P energy: -107.718
bonds (distance) P-C4' energy: -126.154
flat angles C4'-P-C4' energy: -93.329
flat angles P-C4'-P energy: -87.926
tors. eta vs tors. theta energy: -54.227
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: 10, replica: 8
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -930.879895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.879895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.879895 (E_RNA)
where:
Base-Base interactions energy: -530.546
where: short stacking energy: -264.073
Base-Backbone interact. energy: -0.574
local terms energy: -399.760358
where:
bonds (distance) C4'-P energy: -104.355
bonds (distance) P-C4' energy: -120.522
flat angles C4'-P-C4' energy: -105.832
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2554.106306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.106306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.106306 (E_RNA)
where:
Base-Base interactions energy: -1813.420
where: short stacking energy: -748.985
Base-Backbone interact. energy: -7.423
local terms energy: -733.263844
where:
bonds (distance) C4'-P energy: -121.951
bonds (distance) P-C4' energy: -124.637
flat angles C4'-P-C4' energy: -155.419
flat angles P-C4'-P energy: -110.931
tors. eta vs tors. theta energy: -220.328
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: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2470.104206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.104206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.104206 (E_RNA)
where:
Base-Base interactions energy: -1757.513
where: short stacking energy: -716.212
Base-Backbone interact. energy: -4.684
local terms energy: -707.907377
where:
bonds (distance) C4'-P energy: -136.568
bonds (distance) P-C4' energy: -140.753
flat angles C4'-P-C4' energy: -144.605
flat angles P-C4'-P energy: -87.413
tors. eta vs tors. theta energy: -198.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -2508.259847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.259847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.259847 (E_RNA)
where:
Base-Base interactions energy: -1799.671
where: short stacking energy: -725.613
Base-Backbone interact. energy: -2.604
local terms energy: -705.985323
where:
bonds (distance) C4'-P energy: -119.764
bonds (distance) P-C4' energy: -136.909
flat angles C4'-P-C4' energy: -145.714
flat angles P-C4'-P energy: -105.972
tors. eta vs tors. theta energy: -197.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2301.803511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.803511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.803511 (E_RNA)
where:
Base-Base interactions energy: -1610.793
where: short stacking energy: -689.987
Base-Backbone interact. energy: -0.420
local terms energy: -690.590606
where:
bonds (distance) C4'-P energy: -129.383
bonds (distance) P-C4' energy: -115.726
flat angles C4'-P-C4' energy: -148.872
flat angles P-C4'-P energy: -103.413
tors. eta vs tors. theta energy: -193.197
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: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2164.352399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.352399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.352399 (E_RNA)
where:
Base-Base interactions energy: -1469.446
where: short stacking energy: -666.382
Base-Backbone interact. energy: -2.519
local terms energy: -692.387019
where:
bonds (distance) C4'-P energy: -131.591
bonds (distance) P-C4' energy: -122.929
flat angles C4'-P-C4' energy: -147.273
flat angles P-C4'-P energy: -90.306
tors. eta vs tors. theta energy: -200.288
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: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -2033.500969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.500969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.500969 (E_RNA)
where:
Base-Base interactions energy: -1392.164
where: short stacking energy: -606.161
Base-Backbone interact. energy: -2.454
local terms energy: -638.883349
where:
bonds (distance) C4'-P energy: -126.874
bonds (distance) P-C4' energy: -121.376
flat angles C4'-P-C4' energy: -133.550
flat angles P-C4'-P energy: -92.699
tors. eta vs tors. theta energy: -164.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1743.854527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.854527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.854527 (E_RNA)
where:
Base-Base interactions energy: -1172.672
where: short stacking energy: -497.422
Base-Backbone interact. energy: -0.478
local terms energy: -570.705012
where:
bonds (distance) C4'-P energy: -124.431
bonds (distance) P-C4' energy: -121.985
flat angles C4'-P-C4' energy: -132.853
flat angles P-C4'-P energy: -72.237
tors. eta vs tors. theta energy: -119.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1476.679015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.679015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.679015 (E_RNA)
where:
Base-Base interactions energy: -949.577
where: short stacking energy: -450.305
Base-Backbone interact. energy: 1.986
local terms energy: -529.088820
where:
bonds (distance) C4'-P energy: -102.325
bonds (distance) P-C4' energy: -131.780
flat angles C4'-P-C4' energy: -120.131
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -98.714
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: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1267.293967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.293967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.293967 (E_RNA)
where:
Base-Base interactions energy: -794.145
where: short stacking energy: -366.298
Base-Backbone interact. energy: -1.192
local terms energy: -471.956494
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -125.905
flat angles C4'-P-C4' energy: -118.856
flat angles P-C4'-P energy: -52.379
tors. eta vs tors. theta energy: -67.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -933.324771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.324771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.324771 (E_RNA)
where:
Base-Base interactions energy: -531.160
where: short stacking energy: -272.328
Base-Backbone interact. energy: 3.747
local terms energy: -405.911682
where:
bonds (distance) C4'-P energy: -106.954
bonds (distance) P-C4' energy: -129.285
flat angles C4'-P-C4' energy: -103.250
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2586.092084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.092084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.092084 (E_RNA)
where:
Base-Base interactions energy: -1817.096
where: short stacking energy: -757.045
Base-Backbone interact. energy: -2.687
local terms energy: -766.309393
where:
bonds (distance) C4'-P energy: -129.391
bonds (distance) P-C4' energy: -157.160
flat angles C4'-P-C4' energy: -151.335
flat angles P-C4'-P energy: -104.456
tors. eta vs tors. theta energy: -223.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2423.736274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.736274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.736274 (E_RNA)
where:
Base-Base interactions energy: -1700.673
where: short stacking energy: -692.503
Base-Backbone interact. energy: 2.583
local terms energy: -725.645972
where:
bonds (distance) C4'-P energy: -137.680
bonds (distance) P-C4' energy: -139.198
flat angles C4'-P-C4' energy: -150.880
flat angles P-C4'-P energy: -101.633
tors. eta vs tors. theta energy: -196.255
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: 258
Temperature: 1.000000
Total energy: -2460.098379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.098379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.098379 (E_RNA)
where:
Base-Base interactions energy: -1772.177
where: short stacking energy: -714.898
Base-Backbone interact. energy: -2.476
local terms energy: -685.445332
where:
bonds (distance) C4'-P energy: -124.386
bonds (distance) P-C4' energy: -124.582
flat angles C4'-P-C4' energy: -152.638
flat angles P-C4'-P energy: -96.466
tors. eta vs tors. theta energy: -187.373
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: 4, replica: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2252.308818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.308818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.308818 (E_RNA)
where:
Base-Base interactions energy: -1557.361
where: short stacking energy: -664.650
Base-Backbone interact. energy: -3.339
local terms energy: -691.608702
where:
bonds (distance) C4'-P energy: -133.794
bonds (distance) P-C4' energy: -121.911
flat angles C4'-P-C4' energy: -141.921
flat angles P-C4'-P energy: -98.507
tors. eta vs tors. theta energy: -195.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -2191.436965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.436965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.436965 (E_RNA)
where:
Base-Base interactions energy: -1523.310
where: short stacking energy: -677.297
Base-Backbone interact. energy: -1.576
local terms energy: -666.551027
where:
bonds (distance) C4'-P energy: -133.589
bonds (distance) P-C4' energy: -114.339
flat angles C4'-P-C4' energy: -147.099
flat angles P-C4'-P energy: -79.115
tors. eta vs tors. theta energy: -192.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -2103.319275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.319275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.319275 (E_RNA)
where:
Base-Base interactions energy: -1471.536
where: short stacking energy: -618.995
Base-Backbone interact. energy: -0.764
local terms energy: -631.019549
where:
bonds (distance) C4'-P energy: -113.755
bonds (distance) P-C4' energy: -113.868
flat angles C4'-P-C4' energy: -141.915
flat angles P-C4'-P energy: -97.320
tors. eta vs tors. theta energy: -164.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1650.654893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.654893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.654893 (E_RNA)
where:
Base-Base interactions energy: -1110.341
where: short stacking energy: -467.483
Base-Backbone interact. energy: -2.264
local terms energy: -538.049668
where:
bonds (distance) C4'-P energy: -112.086
bonds (distance) P-C4' energy: -111.859
flat angles C4'-P-C4' energy: -143.189
flat angles P-C4'-P energy: -81.681
tors. eta vs tors. theta energy: -89.234
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: 258
Temperature: 1.250000
Total energy: -1409.436334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.436334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.436334 (E_RNA)
where:
Base-Base interactions energy: -903.816
where: short stacking energy: -397.805
Base-Backbone interact. energy: -3.472
local terms energy: -502.148580
where:
bonds (distance) C4'-P energy: -106.763
bonds (distance) P-C4' energy: -118.782
flat angles C4'-P-C4' energy: -114.656
flat angles P-C4'-P energy: -86.161
tors. eta vs tors. theta energy: -75.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1280.262110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.262110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.262110 (E_RNA)
where:
Base-Base interactions energy: -827.302
where: short stacking energy: -392.935
Base-Backbone interact. energy: -2.104
local terms energy: -450.856355
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -111.632
flat angles C4'-P-C4' energy: -129.590
flat angles P-C4'-P energy: -67.963
tors. eta vs tors. theta energy: -56.289
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: 8
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -903.802183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.802183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.802183 (E_RNA)
where:
Base-Base interactions energy: -509.343
where: short stacking energy: -246.759
Base-Backbone interact. energy: 0.790
local terms energy: -395.249094
where:
bonds (distance) C4'-P energy: -106.772
bonds (distance) P-C4' energy: -117.099
flat angles C4'-P-C4' energy: -83.281
flat angles P-C4'-P energy: -68.014
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2567.363840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.363840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.363840 (E_RNA)
where:
Base-Base interactions energy: -1802.651
where: short stacking energy: -769.011
Base-Backbone interact. energy: -0.059
local terms energy: -764.654025
where:
bonds (distance) C4'-P energy: -153.350
bonds (distance) P-C4' energy: -141.014
flat angles C4'-P-C4' energy: -165.641
flat angles P-C4'-P energy: -91.389
tors. eta vs tors. theta energy: -213.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2489.692790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.692790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.692790 (E_RNA)
where:
Base-Base interactions energy: -1776.163
where: short stacking energy: -713.632
Base-Backbone interact. energy: -3.238
local terms energy: -710.291447
where:
bonds (distance) C4'-P energy: -129.341
bonds (distance) P-C4' energy: -142.354
flat angles C4'-P-C4' energy: -163.712
flat angles P-C4'-P energy: -90.818
tors. eta vs tors. theta energy: -184.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -2428.337257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.337257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.337257 (E_RNA)
where:
Base-Base interactions energy: -1735.842
where: short stacking energy: -714.630
Base-Backbone interact. energy: 1.559
local terms energy: -694.054294
where:
bonds (distance) C4'-P energy: -121.332
bonds (distance) P-C4' energy: -137.005
flat angles C4'-P-C4' energy: -151.085
flat angles P-C4'-P energy: -98.419
tors. eta vs tors. theta energy: -186.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2302.399600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.399600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.399600 (E_RNA)
where:
Base-Base interactions energy: -1594.786
where: short stacking energy: -679.148
Base-Backbone interact. energy: -3.523
local terms energy: -704.090591
where:
bonds (distance) C4'-P energy: -135.128
bonds (distance) P-C4' energy: -132.392
flat angles C4'-P-C4' energy: -148.590
flat angles P-C4'-P energy: -87.132
tors. eta vs tors. theta energy: -200.849
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: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -2213.570324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.570324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.570324 (E_RNA)
where:
Base-Base interactions energy: -1520.246
where: short stacking energy: -683.415
Base-Backbone interact. energy: -2.044
local terms energy: -691.280719
where:
bonds (distance) C4'-P energy: -135.663
bonds (distance) P-C4' energy: -124.986
flat angles C4'-P-C4' energy: -136.986
flat angles P-C4'-P energy: -94.742
tors. eta vs tors. theta energy: -198.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -2089.143139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.143139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.143139 (E_RNA)
where:
Base-Base interactions energy: -1453.810
where: short stacking energy: -635.320
Base-Backbone interact. energy: -0.527
local terms energy: -634.805933
where:
bonds (distance) C4'-P energy: -116.557
bonds (distance) P-C4' energy: -121.879
flat angles C4'-P-C4' energy: -141.253
flat angles P-C4'-P energy: -84.572
tors. eta vs tors. theta energy: -170.545
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: 9
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1643.213609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.213609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.213609 (E_RNA)
where:
Base-Base interactions energy: -1105.581
where: short stacking energy: -476.661
Base-Backbone interact. energy: -4.161
local terms energy: -533.471515
where:
bonds (distance) C4'-P energy: -120.140
bonds (distance) P-C4' energy: -114.847
flat angles C4'-P-C4' energy: -126.577
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -98.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1395.398947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.398947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.398947 (E_RNA)
where:
Base-Base interactions energy: -909.189
where: short stacking energy: -428.859
Base-Backbone interact. energy: -1.294
local terms energy: -484.916375
where:
bonds (distance) C4'-P energy: -111.488
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -103.455
flat angles P-C4'-P energy: -75.139
tors. eta vs tors. theta energy: -77.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1339.312594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.312594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.312594 (E_RNA)
where:
Base-Base interactions energy: -862.803
where: short stacking energy: -393.053
Base-Backbone interact. energy: -1.743
local terms energy: -474.766007
where:
bonds (distance) C4'-P energy: -98.903
bonds (distance) P-C4' energy: -122.974
flat angles C4'-P-C4' energy: -118.480
flat angles P-C4'-P energy: -72.234
tors. eta vs tors. theta energy: -62.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -919.626676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.626676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.626676 (E_RNA)
where:
Base-Base interactions energy: -511.575
where: short stacking energy: -264.401
Base-Backbone interact. energy: -2.336
local terms energy: -405.715409
where:
bonds (distance) C4'-P energy: -106.924
bonds (distance) P-C4' energy: -118.440
flat angles C4'-P-C4' energy: -100.381
flat angles P-C4'-P energy: -58.377
tors. eta vs tors. theta energy: -21.594
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: 260
Temperature: 0.900000
Total energy: -2582.416932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.416932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.416932 (E_RNA)
where:
Base-Base interactions energy: -1818.880
where: short stacking energy: -765.922
Base-Backbone interact. energy: -4.891
local terms energy: -758.645631
where:
bonds (distance) C4'-P energy: -134.655
bonds (distance) P-C4' energy: -138.810
flat angles C4'-P-C4' energy: -158.916
flat angles P-C4'-P energy: -113.806
tors. eta vs tors. theta energy: -212.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2494.108609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.108609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.108609 (E_RNA)
where:
Base-Base interactions energy: -1799.903
where: short stacking energy: -732.936
Base-Backbone interact. energy: -2.812
local terms energy: -691.393892
where:
bonds (distance) C4'-P energy: -118.649
bonds (distance) P-C4' energy: -124.359
flat angles C4'-P-C4' energy: -153.919
flat angles P-C4'-P energy: -98.895
tors. eta vs tors. theta energy: -195.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2453.881811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.881811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.881811 (E_RNA)
where:
Base-Base interactions energy: -1722.613
where: short stacking energy: -736.204
Base-Backbone interact. energy: -3.021
local terms energy: -728.247529
where:
bonds (distance) C4'-P energy: -137.621
bonds (distance) P-C4' energy: -137.653
flat angles C4'-P-C4' energy: -151.705
flat angles P-C4'-P energy: -95.140
tors. eta vs tors. theta energy: -206.129
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: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2282.937896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.937896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.937896 (E_RNA)
where:
Base-Base interactions energy: -1576.922
where: short stacking energy: -700.507
Base-Backbone interact. energy: 2.068
local terms energy: -708.083459
where:
bonds (distance) C4'-P energy: -131.461
bonds (distance) P-C4' energy: -116.437
flat angles C4'-P-C4' energy: -149.731
flat angles P-C4'-P energy: -109.872
tors. eta vs tors. theta energy: -200.582
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -2198.200118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.200118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.200118 (E_RNA)
where:
Base-Base interactions energy: -1524.411
where: short stacking energy: -682.996
Base-Backbone interact. energy: -0.043
local terms energy: -673.746056
where:
bonds (distance) C4'-P energy: -117.019
bonds (distance) P-C4' energy: -126.041
flat angles C4'-P-C4' energy: -144.650
flat angles P-C4'-P energy: -75.623
tors. eta vs tors. theta energy: -210.414
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: 6
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -2085.760970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.760970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.760970 (E_RNA)
where:
Base-Base interactions energy: -1469.625
where: short stacking energy: -621.017
Base-Backbone interact. energy: -1.601
local terms energy: -614.534958
where:
bonds (distance) C4'-P energy: -116.621
bonds (distance) P-C4' energy: -107.508
flat angles C4'-P-C4' energy: -141.270
flat angles P-C4'-P energy: -81.179
tors. eta vs tors. theta energy: -167.956
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: 9
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1670.681870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.681870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.681870 (E_RNA)
where:
Base-Base interactions energy: -1135.720
where: short stacking energy: -472.572
Base-Backbone interact. energy: -2.656
local terms energy: -532.305763
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -100.483
flat angles C4'-P-C4' energy: -119.041
flat angles P-C4'-P energy: -95.606
tors. eta vs tors. theta energy: -93.384
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1357.298519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.298519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.298519 (E_RNA)
where:
Base-Base interactions energy: -875.315
where: short stacking energy: -421.911
Base-Backbone interact. energy: -0.690
local terms energy: -481.293033
where:
bonds (distance) C4'-P energy: -116.694
bonds (distance) P-C4' energy: -90.157
flat angles C4'-P-C4' energy: -117.045
flat angles P-C4'-P energy: -87.736
tors. eta vs tors. theta energy: -69.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1254.037979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.037979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.037979 (E_RNA)
where:
Base-Base interactions energy: -772.210
where: short stacking energy: -381.847
Base-Backbone interact. energy: -2.551
local terms energy: -479.277215
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -112.943
flat angles C4'-P-C4' energy: -115.170
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -61.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -938.281950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.281950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.281950 (E_RNA)
where:
Base-Base interactions energy: -523.236
where: short stacking energy: -273.675
Base-Backbone interact. energy: -0.442
local terms energy: -414.603752
where:
bonds (distance) C4'-P energy: -117.395
bonds (distance) P-C4' energy: -106.714
flat angles C4'-P-C4' energy: -99.755
flat angles P-C4'-P energy: -65.002
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2586.018974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.018974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.018974 (E_RNA)
where:
Base-Base interactions energy: -1840.773
where: short stacking energy: -734.524
Base-Backbone interact. energy: -4.580
local terms energy: -740.665513
where:
bonds (distance) C4'-P energy: -117.502
bonds (distance) P-C4' energy: -140.220
flat angles C4'-P-C4' energy: -163.665
flat angles P-C4'-P energy: -112.452
tors. eta vs tors. theta energy: -206.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2489.526163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.526163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.526163 (E_RNA)
where:
Base-Base interactions energy: -1785.919
where: short stacking energy: -727.216
Base-Backbone interact. energy: -3.520
local terms energy: -700.087163
where:
bonds (distance) C4'-P energy: -118.411
bonds (distance) P-C4' energy: -128.512
flat angles C4'-P-C4' energy: -158.082
flat angles P-C4'-P energy: -96.835
tors. eta vs tors. theta energy: -198.247
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: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2397.462128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.462128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.462128 (E_RNA)
where:
Base-Base interactions energy: -1683.952
where: short stacking energy: -696.780
Base-Backbone interact. energy: 0.161
local terms energy: -713.671630
where:
bonds (distance) C4'-P energy: -132.958
bonds (distance) P-C4' energy: -134.030
flat angles C4'-P-C4' energy: -140.823
flat angles P-C4'-P energy: -101.879
tors. eta vs tors. theta energy: -203.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2270.202691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.202691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.202691 (E_RNA)
where:
Base-Base interactions energy: -1593.142
where: short stacking energy: -695.331
Base-Backbone interact. energy: -2.309
local terms energy: -674.751926
where:
bonds (distance) C4'-P energy: -105.628
bonds (distance) P-C4' energy: -118.235
flat angles C4'-P-C4' energy: -149.561
flat angles P-C4'-P energy: -100.935
tors. eta vs tors. theta energy: -200.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -2231.962398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.962398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.962398 (E_RNA)
where:
Base-Base interactions energy: -1542.011
where: short stacking energy: -647.680
Base-Backbone interact. energy: -4.481
local terms energy: -685.470440
where:
bonds (distance) C4'-P energy: -125.024
bonds (distance) P-C4' energy: -127.407
flat angles C4'-P-C4' energy: -144.502
flat angles P-C4'-P energy: -96.266
tors. eta vs tors. theta energy: -192.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -2046.058042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.058042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.058042 (E_RNA)
where:
Base-Base interactions energy: -1453.196
where: short stacking energy: -601.133
Base-Backbone interact. energy: -1.243
local terms energy: -591.619266
where:
bonds (distance) C4'-P energy: -107.996
bonds (distance) P-C4' energy: -107.474
flat angles C4'-P-C4' energy: -125.205
flat angles P-C4'-P energy: -90.785
tors. eta vs tors. theta energy: -160.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1719.966995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.966995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.966995 (E_RNA)
where:
Base-Base interactions energy: -1168.475
where: short stacking energy: -501.152
Base-Backbone interact. energy: 3.422
local terms energy: -554.914004
where:
bonds (distance) C4'-P energy: -114.176
bonds (distance) P-C4' energy: -109.149
flat angles C4'-P-C4' energy: -135.951
flat angles P-C4'-P energy: -84.545
tors. eta vs tors. theta energy: -111.094
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: 261
Temperature: 1.250000
Total energy: -1398.822804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.822804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.822804 (E_RNA)
where:
Base-Base interactions energy: -884.842
where: short stacking energy: -403.220
Base-Backbone interact. energy: -1.417
local terms energy: -512.563921
where:
bonds (distance) C4'-P energy: -115.843
bonds (distance) P-C4' energy: -128.249
flat angles C4'-P-C4' energy: -102.225
flat angles P-C4'-P energy: -81.760
tors. eta vs tors. theta energy: -84.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1274.317246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.317246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.317246 (E_RNA)
where:
Base-Base interactions energy: -847.538
where: short stacking energy: -377.606
Base-Backbone interact. energy: 0.232
local terms energy: -427.011594
where:
bonds (distance) C4'-P energy: -90.987
bonds (distance) P-C4' energy: -118.547
flat angles C4'-P-C4' energy: -92.479
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -965.782313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.782313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.782313 (E_RNA)
where:
Base-Base interactions energy: -558.627
where: short stacking energy: -287.396
Base-Backbone interact. energy: 2.493
local terms energy: -409.647990
where:
bonds (distance) C4'-P energy: -107.389
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -101.633
flat angles P-C4'-P energy: -52.677
tors. eta vs tors. theta energy: -41.778
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: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2553.915127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.915127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.915127 (E_RNA)
where:
Base-Base interactions energy: -1794.031
where: short stacking energy: -742.006
Base-Backbone interact. energy: -3.591
local terms energy: -756.293397
where:
bonds (distance) C4'-P energy: -128.500
bonds (distance) P-C4' energy: -158.701
flat angles C4'-P-C4' energy: -166.227
flat angles P-C4'-P energy: -106.549
tors. eta vs tors. theta energy: -196.317
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: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2494.262726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.262726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.262726 (E_RNA)
where:
Base-Base interactions energy: -1760.574
where: short stacking energy: -718.887
Base-Backbone interact. energy: 4.892
local terms energy: -738.581103
where:
bonds (distance) C4'-P energy: -131.009
bonds (distance) P-C4' energy: -145.510
flat angles C4'-P-C4' energy: -152.944
flat angles P-C4'-P energy: -107.797
tors. eta vs tors. theta energy: -201.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -2400.681759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.681759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.681759 (E_RNA)
where:
Base-Base interactions energy: -1704.836
where: short stacking energy: -697.133
Base-Backbone interact. energy: 10.384
local terms energy: -706.229128
where:
bonds (distance) C4'-P energy: -109.793
bonds (distance) P-C4' energy: -131.233
flat angles C4'-P-C4' energy: -154.981
flat angles P-C4'-P energy: -111.114
tors. eta vs tors. theta energy: -199.108
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: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2276.433024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.433024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.433024 (E_RNA)
where:
Base-Base interactions energy: -1560.824
where: short stacking energy: -685.625
Base-Backbone interact. energy: -1.126
local terms energy: -714.483155
where:
bonds (distance) C4'-P energy: -134.589
bonds (distance) P-C4' energy: -117.680
flat angles C4'-P-C4' energy: -154.832
flat angles P-C4'-P energy: -102.292
tors. eta vs tors. theta energy: -205.090
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: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -2199.939440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.939440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.939440 (E_RNA)
where:
Base-Base interactions energy: -1517.638
where: short stacking energy: -664.444
Base-Backbone interact. energy: -2.502
local terms energy: -679.799445
where:
bonds (distance) C4'-P energy: -129.109
bonds (distance) P-C4' energy: -124.324
flat angles C4'-P-C4' energy: -144.105
flat angles P-C4'-P energy: -92.770
tors. eta vs tors. theta energy: -189.491
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: 6
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -2081.958873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.958873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.958873 (E_RNA)
where:
Base-Base interactions energy: -1478.167
where: short stacking energy: -619.522
Base-Backbone interact. energy: -2.861
local terms energy: -600.930807
where:
bonds (distance) C4'-P energy: -110.313
bonds (distance) P-C4' energy: -118.016
flat angles C4'-P-C4' energy: -129.923
flat angles P-C4'-P energy: -84.481
tors. eta vs tors. theta energy: -158.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1723.235830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.235830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.235830 (E_RNA)
where:
Base-Base interactions energy: -1159.565
where: short stacking energy: -505.148
Base-Backbone interact. energy: 3.333
local terms energy: -567.002952
where:
bonds (distance) C4'-P energy: -116.256
bonds (distance) P-C4' energy: -137.451
flat angles C4'-P-C4' energy: -126.158
flat angles P-C4'-P energy: -75.986
tors. eta vs tors. theta energy: -111.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1303.707510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.707510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.707510 (E_RNA)
where:
Base-Base interactions energy: -810.553
where: short stacking energy: -394.179
Base-Backbone interact. energy: -2.838
local terms energy: -490.316615
where:
bonds (distance) C4'-P energy: -109.984
bonds (distance) P-C4' energy: -119.642
flat angles C4'-P-C4' energy: -118.525
flat angles P-C4'-P energy: -67.029
tors. eta vs tors. theta energy: -75.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1390.956929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.956929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.956929 (E_RNA)
where:
Base-Base interactions energy: -905.383
where: short stacking energy: -407.496
Base-Backbone interact. energy: -3.098
local terms energy: -482.476073
where:
bonds (distance) C4'-P energy: -115.239
bonds (distance) P-C4' energy: -129.220
flat angles C4'-P-C4' energy: -102.801
flat angles P-C4'-P energy: -55.090
tors. eta vs tors. theta energy: -80.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -984.286268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.286268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.286268 (E_RNA)
where:
Base-Base interactions energy: -580.935
where: short stacking energy: -301.063
Base-Backbone interact. energy: 2.024
local terms energy: -405.375802
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -113.720
flat angles C4'-P-C4' energy: -105.195
flat angles P-C4'-P energy: -63.083
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2543.222107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.222107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.222107 (E_RNA)
where:
Base-Base interactions energy: -1827.851
where: short stacking energy: -756.694
Base-Backbone interact. energy: -5.596
local terms energy: -709.774785
where:
bonds (distance) C4'-P energy: -129.016
bonds (distance) P-C4' energy: -137.716
flat angles C4'-P-C4' energy: -149.064
flat angles P-C4'-P energy: -84.426
tors. eta vs tors. theta energy: -209.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2496.729749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.729749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.729749 (E_RNA)
where:
Base-Base interactions energy: -1773.188
where: short stacking energy: -730.676
Base-Backbone interact. energy: -0.814
local terms energy: -722.727193
where:
bonds (distance) C4'-P energy: -138.579
bonds (distance) P-C4' energy: -129.547
flat angles C4'-P-C4' energy: -153.819
flat angles P-C4'-P energy: -93.242
tors. eta vs tors. theta energy: -207.540
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: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2427.857442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.857442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.857442 (E_RNA)
where:
Base-Base interactions energy: -1708.349
where: short stacking energy: -703.099
Base-Backbone interact. energy: -2.758
local terms energy: -716.750734
where:
bonds (distance) C4'-P energy: -120.450
bonds (distance) P-C4' energy: -138.853
flat angles C4'-P-C4' energy: -154.476
flat angles P-C4'-P energy: -99.289
tors. eta vs tors. theta energy: -203.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2289.826660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.826660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.826660 (E_RNA)
where:
Base-Base interactions energy: -1565.903
where: short stacking energy: -706.101
Base-Backbone interact. energy: -0.597
local terms energy: -723.326014
where:
bonds (distance) C4'-P energy: -132.523
bonds (distance) P-C4' energy: -128.653
flat angles C4'-P-C4' energy: -152.891
flat angles P-C4'-P energy: -98.840
tors. eta vs tors. theta energy: -210.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -2198.953032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.953032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.953032 (E_RNA)
where:
Base-Base interactions energy: -1525.688
where: short stacking energy: -666.858
Base-Backbone interact. energy: 0.382
local terms energy: -673.647086
where:
bonds (distance) C4'-P energy: -121.836
bonds (distance) P-C4' energy: -132.542
flat angles C4'-P-C4' energy: -137.619
flat angles P-C4'-P energy: -88.958
tors. eta vs tors. theta energy: -192.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -2026.216233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.216233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.216233 (E_RNA)
where:
Base-Base interactions energy: -1387.080
where: short stacking energy: -593.891
Base-Backbone interact. energy: -2.919
local terms energy: -636.217861
where:
bonds (distance) C4'-P energy: -129.786
bonds (distance) P-C4' energy: -118.707
flat angles C4'-P-C4' energy: -137.679
flat angles P-C4'-P energy: -85.930
tors. eta vs tors. theta energy: -164.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1717.234088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.234088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.234088 (E_RNA)
where:
Base-Base interactions energy: -1153.727
where: short stacking energy: -481.691
Base-Backbone interact. energy: 1.829
local terms energy: -565.335943
where:
bonds (distance) C4'-P energy: -121.441
bonds (distance) P-C4' energy: -130.689
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -84.748
tors. eta vs tors. theta energy: -109.652
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: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1457.202099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.202099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.202099 (E_RNA)
where:
Base-Base interactions energy: -929.779
where: short stacking energy: -432.334
Base-Backbone interact. energy: -2.886
local terms energy: -524.536512
where:
bonds (distance) C4'-P energy: -120.118
bonds (distance) P-C4' energy: -125.287
flat angles C4'-P-C4' energy: -115.450
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -87.683
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: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1221.276326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.276326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.276326 (E_RNA)
where:
Base-Base interactions energy: -779.688
where: short stacking energy: -347.709
Base-Backbone interact. energy: 3.124
local terms energy: -444.712538
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -119.936
flat angles C4'-P-C4' energy: -114.633
flat angles P-C4'-P energy: -48.671
tors. eta vs tors. theta energy: -46.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -975.607766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.607766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.607766 (E_RNA)
where:
Base-Base interactions energy: -580.108
where: short stacking energy: -276.173
Base-Backbone interact. energy: 2.251
local terms energy: -397.750764
where:
bonds (distance) C4'-P energy: -104.651
bonds (distance) P-C4' energy: -105.786
flat angles C4'-P-C4' energy: -109.496
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -22.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2561.097886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.097886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.097886 (E_RNA)
where:
Base-Base interactions energy: -1828.228
where: short stacking energy: -739.187
Base-Backbone interact. energy: -3.097
local terms energy: -729.773000
where:
bonds (distance) C4'-P energy: -124.793
bonds (distance) P-C4' energy: -119.635
flat angles C4'-P-C4' energy: -161.233
flat angles P-C4'-P energy: -106.342
tors. eta vs tors. theta energy: -217.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2522.582671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.582671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.582671 (E_RNA)
where:
Base-Base interactions energy: -1799.699
where: short stacking energy: -745.846
Base-Backbone interact. energy: 2.476
local terms energy: -725.360423
where:
bonds (distance) C4'-P energy: -130.429
bonds (distance) P-C4' energy: -138.777
flat angles C4'-P-C4' energy: -153.708
flat angles P-C4'-P energy: -96.275
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: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2407.728357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.728357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.728357 (E_RNA)
where:
Base-Base interactions energy: -1682.875
where: short stacking energy: -723.196
Base-Backbone interact. energy: -1.899
local terms energy: -722.954847
where:
bonds (distance) C4'-P energy: -138.299
bonds (distance) P-C4' energy: -122.241
flat angles C4'-P-C4' energy: -157.019
flat angles P-C4'-P energy: -100.517
tors. eta vs tors. theta energy: -204.879
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: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2227.568086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.568086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.568086 (E_RNA)
where:
Base-Base interactions energy: -1528.789
where: short stacking energy: -698.166
Base-Backbone interact. energy: -2.421
local terms energy: -696.358835
where:
bonds (distance) C4'-P energy: -128.597
bonds (distance) P-C4' energy: -118.473
flat angles C4'-P-C4' energy: -146.892
flat angles P-C4'-P energy: -94.676
tors. eta vs tors. theta energy: -207.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -2220.235963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.235963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.235963 (E_RNA)
where:
Base-Base interactions energy: -1545.980
where: short stacking energy: -660.610
Base-Backbone interact. energy: -2.255
local terms energy: -672.000860
where:
bonds (distance) C4'-P energy: -123.795
bonds (distance) P-C4' energy: -122.045
flat angles C4'-P-C4' energy: -141.491
flat angles P-C4'-P energy: -97.448
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: 6, replica: 6
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -2074.306930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.306930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.306930 (E_RNA)
where:
Base-Base interactions energy: -1447.815
where: short stacking energy: -592.843
Base-Backbone interact. energy: -2.211
local terms energy: -624.281593
where:
bonds (distance) C4'-P energy: -103.160
bonds (distance) P-C4' energy: -135.697
flat angles C4'-P-C4' energy: -135.036
flat angles P-C4'-P energy: -82.546
tors. eta vs tors. theta energy: -167.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1668.975178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.975178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.975178 (E_RNA)
where:
Base-Base interactions energy: -1117.568
where: short stacking energy: -466.314
Base-Backbone interact. energy: -0.329
local terms energy: -551.078175
where:
bonds (distance) C4'-P energy: -110.494
bonds (distance) P-C4' energy: -117.981
flat angles C4'-P-C4' energy: -137.899
flat angles P-C4'-P energy: -87.449
tors. eta vs tors. theta energy: -97.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1431.721457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.721457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.721457 (E_RNA)
where:
Base-Base interactions energy: -953.858
where: short stacking energy: -431.427
Base-Backbone interact. energy: -1.376
local terms energy: -476.486908
where:
bonds (distance) C4'-P energy: -94.260
bonds (distance) P-C4' energy: -117.726
flat angles C4'-P-C4' energy: -100.862
flat angles P-C4'-P energy: -80.307
tors. eta vs tors. theta energy: -83.332
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: 4
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1345.811217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.811217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.811217 (E_RNA)
where:
Base-Base interactions energy: -869.728
where: short stacking energy: -403.044
Base-Backbone interact. energy: -2.672
local terms energy: -473.411025
where:
bonds (distance) C4'-P energy: -108.988
bonds (distance) P-C4' energy: -123.679
flat angles C4'-P-C4' energy: -111.749
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -63.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -1006.722181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.722181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.722181 (E_RNA)
where:
Base-Base interactions energy: -601.752
where: short stacking energy: -289.604
Base-Backbone interact. energy: -5.025
local terms energy: -399.944592
where:
bonds (distance) C4'-P energy: -85.548
bonds (distance) P-C4' energy: -109.077
flat angles C4'-P-C4' energy: -107.377
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -37.471
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: 265
Temperature: 0.900000
Total energy: -2588.037296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.037296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.037296 (E_RNA)
where:
Base-Base interactions energy: -1817.490
where: short stacking energy: -755.581
Base-Backbone interact. energy: -3.471
local terms energy: -767.075441
where:
bonds (distance) C4'-P energy: -128.373
bonds (distance) P-C4' energy: -151.427
flat angles C4'-P-C4' energy: -154.291
flat angles P-C4'-P energy: -107.700
tors. eta vs tors. theta energy: -225.284
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: 265
Temperature: 0.950000
Total energy: -2505.674922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.674922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.674922 (E_RNA)
where:
Base-Base interactions energy: -1773.785
where: short stacking energy: -713.846
Base-Backbone interact. energy: -0.866
local terms energy: -731.023506
where:
bonds (distance) C4'-P energy: -131.265
bonds (distance) P-C4' energy: -142.569
flat angles C4'-P-C4' energy: -155.348
flat angles P-C4'-P energy: -99.682
tors. eta vs tors. theta energy: -202.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2401.538362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.538362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.538362 (E_RNA)
where:
Base-Base interactions energy: -1687.255
where: short stacking energy: -674.220
Base-Backbone interact. energy: -3.385
local terms energy: -710.898229
where:
bonds (distance) C4'-P energy: -135.077
bonds (distance) P-C4' energy: -147.008
flat angles C4'-P-C4' energy: -149.766
flat angles P-C4'-P energy: -92.915
tors. eta vs tors. theta energy: -186.132
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: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2228.291529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.291529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.291529 (E_RNA)
where:
Base-Base interactions energy: -1540.816
where: short stacking energy: -686.195
Base-Backbone interact. energy: -0.974
local terms energy: -686.500866
where:
bonds (distance) C4'-P energy: -117.960
bonds (distance) P-C4' energy: -130.090
flat angles C4'-P-C4' energy: -155.304
flat angles P-C4'-P energy: -83.843
tors. eta vs tors. theta energy: -199.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -2210.546284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.546284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.546284 (E_RNA)
where:
Base-Base interactions energy: -1557.938
where: short stacking energy: -654.521
Base-Backbone interact. energy: -0.923
local terms energy: -651.685051
where:
bonds (distance) C4'-P energy: -119.802
bonds (distance) P-C4' energy: -135.315
flat angles C4'-P-C4' energy: -129.565
flat angles P-C4'-P energy: -81.976
tors. eta vs tors. theta energy: -185.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -2070.881483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.881483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.881483 (E_RNA)
where:
Base-Base interactions energy: -1466.223
where: short stacking energy: -625.070
Base-Backbone interact. energy: -0.335
local terms energy: -604.323078
where:
bonds (distance) C4'-P energy: -122.085
bonds (distance) P-C4' energy: -107.499
flat angles C4'-P-C4' energy: -133.176
flat angles P-C4'-P energy: -75.729
tors. eta vs tors. theta energy: -165.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1736.128072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.128072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.128072 (E_RNA)
where:
Base-Base interactions energy: -1161.590
where: short stacking energy: -509.143
Base-Backbone interact. energy: -5.375
local terms energy: -569.163019
where:
bonds (distance) C4'-P energy: -122.049
bonds (distance) P-C4' energy: -113.757
flat angles C4'-P-C4' energy: -134.288
flat angles P-C4'-P energy: -88.143
tors. eta vs tors. theta energy: -110.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1388.690592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.690592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.690592 (E_RNA)
where:
Base-Base interactions energy: -932.396
where: short stacking energy: -411.413
Base-Backbone interact. energy: -2.323
local terms energy: -453.971332
where:
bonds (distance) C4'-P energy: -104.928
bonds (distance) P-C4' energy: -106.339
flat angles C4'-P-C4' energy: -114.120
flat angles P-C4'-P energy: -53.007
tors. eta vs tors. theta energy: -75.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1249.136946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.136946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.136946 (E_RNA)
where:
Base-Base interactions energy: -802.968
where: short stacking energy: -370.637
Base-Backbone interact. energy: 1.153
local terms energy: -447.321983
where:
bonds (distance) C4'-P energy: -102.739
bonds (distance) P-C4' energy: -123.857
flat angles C4'-P-C4' energy: -111.951
flat angles P-C4'-P energy: -58.403
tors. eta vs tors. theta energy: -50.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -1020.559822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.559822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.559822 (E_RNA)
where:
Base-Base interactions energy: -591.129
where: short stacking energy: -311.279
Base-Backbone interact. energy: -1.826
local terms energy: -427.604470
where:
bonds (distance) C4'-P energy: -96.532
bonds (distance) P-C4' energy: -133.269
flat angles C4'-P-C4' energy: -93.165
flat angles P-C4'-P energy: -65.834
tors. eta vs tors. theta energy: -38.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2579.570380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.570380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.570380 (E_RNA)
where:
Base-Base interactions energy: -1824.282
where: short stacking energy: -756.968
Base-Backbone interact. energy: -2.430
local terms energy: -752.858166
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -129.531
flat angles C4'-P-C4' energy: -158.920
flat angles P-C4'-P energy: -118.868
tors. eta vs tors. theta energy: -214.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2493.180245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.180245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.180245 (E_RNA)
where:
Base-Base interactions energy: -1784.720
where: short stacking energy: -725.815
Base-Backbone interact. energy: -2.666
local terms energy: -705.794252
where:
bonds (distance) C4'-P energy: -127.246
bonds (distance) P-C4' energy: -128.037
flat angles C4'-P-C4' energy: -146.113
flat angles P-C4'-P energy: -107.591
tors. eta vs tors. theta energy: -196.806
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: 3, replica: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2372.375027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.375027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.375027 (E_RNA)
where:
Base-Base interactions energy: -1661.259
where: short stacking energy: -675.537
Base-Backbone interact. energy: -2.291
local terms energy: -708.825642
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -145.268
flat angles C4'-P-C4' energy: -143.628
flat angles P-C4'-P energy: -98.324
tors. eta vs tors. theta energy: -191.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2215.766314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.766314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.766314 (E_RNA)
where:
Base-Base interactions energy: -1527.437
where: short stacking energy: -682.323
Base-Backbone interact. energy: -1.836
local terms energy: -686.493139
where:
bonds (distance) C4'-P energy: -107.715
bonds (distance) P-C4' energy: -143.840
flat angles C4'-P-C4' energy: -141.431
flat angles P-C4'-P energy: -108.034
tors. eta vs tors. theta energy: -185.473
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: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -2210.915316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.915316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.915316 (E_RNA)
where:
Base-Base interactions energy: -1535.833
where: short stacking energy: -666.087
Base-Backbone interact. energy: -4.350
local terms energy: -670.731612
where:
bonds (distance) C4'-P energy: -111.967
bonds (distance) P-C4' energy: -130.561
flat angles C4'-P-C4' energy: -154.625
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -187.867
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: 6, replica: 6
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -2057.010156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.010156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.010156 (E_RNA)
where:
Base-Base interactions energy: -1445.638
where: short stacking energy: -579.996
Base-Backbone interact. energy: -0.576
local terms energy: -610.795816
where:
bonds (distance) C4'-P energy: -124.751
bonds (distance) P-C4' energy: -104.577
flat angles C4'-P-C4' energy: -145.988
flat angles P-C4'-P energy: -76.654
tors. eta vs tors. theta energy: -158.826
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1763.157234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.157234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.157234 (E_RNA)
where:
Base-Base interactions energy: -1226.297
where: short stacking energy: -509.827
Base-Backbone interact. energy: 3.216
local terms energy: -540.076094
where:
bonds (distance) C4'-P energy: -105.037
bonds (distance) P-C4' energy: -129.869
flat angles C4'-P-C4' energy: -117.283
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -105.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1391.300152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.300152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.300152 (E_RNA)
where:
Base-Base interactions energy: -934.975
where: short stacking energy: -435.262
Base-Backbone interact. energy: 3.246
local terms energy: -459.571107
where:
bonds (distance) C4'-P energy: -89.055
bonds (distance) P-C4' energy: -104.873
flat angles C4'-P-C4' energy: -120.111
flat angles P-C4'-P energy: -72.716
tors. eta vs tors. theta energy: -72.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1193.679172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.679172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.679172 (E_RNA)
where:
Base-Base interactions energy: -733.540
where: short stacking energy: -333.775
Base-Backbone interact. energy: -1.426
local terms energy: -458.714072
where:
bonds (distance) C4'-P energy: -86.614
bonds (distance) P-C4' energy: -129.323
flat angles C4'-P-C4' energy: -126.839
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -47.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -992.636543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.636543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.636543 (E_RNA)
where:
Base-Base interactions energy: -568.522
where: short stacking energy: -296.428
Base-Backbone interact. energy: 5.108
local terms energy: -429.222719
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -117.108
flat angles C4'-P-C4' energy: -101.758
flat angles P-C4'-P energy: -58.415
tors. eta vs tors. theta energy: -35.243
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: 267
Temperature: 0.900000
Total energy: -2576.645312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.645312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.645312 (E_RNA)
where:
Base-Base interactions energy: -1813.593
where: short stacking energy: -748.286
Base-Backbone interact. energy: 0.069
local terms energy: -763.120788
where:
bonds (distance) C4'-P energy: -137.496
bonds (distance) P-C4' energy: -138.795
flat angles C4'-P-C4' energy: -165.589
flat angles P-C4'-P energy: -106.994
tors. eta vs tors. theta energy: -214.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2506.613533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.613533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.613533 (E_RNA)
where:
Base-Base interactions energy: -1790.341
where: short stacking energy: -723.701
Base-Backbone interact. energy: 0.923
local terms energy: -717.195977
where:
bonds (distance) C4'-P energy: -147.538
bonds (distance) P-C4' energy: -138.596
flat angles C4'-P-C4' energy: -154.665
flat angles P-C4'-P energy: -79.975
tors. eta vs tors. theta energy: -196.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2423.088780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.088780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.088780 (E_RNA)
where:
Base-Base interactions energy: -1679.217
where: short stacking energy: -690.221
Base-Backbone interact. energy: -5.044
local terms energy: -738.828408
where:
bonds (distance) C4'-P energy: -147.910
bonds (distance) P-C4' energy: -133.952
flat angles C4'-P-C4' energy: -155.065
flat angles P-C4'-P energy: -107.127
tors. eta vs tors. theta energy: -194.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2198.858624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.858624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.858624 (E_RNA)
where:
Base-Base interactions energy: -1523.479
where: short stacking energy: -665.676
Base-Backbone interact. energy: 0.428
local terms energy: -675.807609
where:
bonds (distance) C4'-P energy: -121.604
bonds (distance) P-C4' energy: -122.724
flat angles C4'-P-C4' energy: -145.854
flat angles P-C4'-P energy: -92.518
tors. eta vs tors. theta energy: -193.108
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2204.916281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.916281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.916281 (E_RNA)
where:
Base-Base interactions energy: -1554.406
where: short stacking energy: -683.779
Base-Backbone interact. energy: -2.984
local terms energy: -647.525725
where:
bonds (distance) C4'-P energy: -124.153
bonds (distance) P-C4' energy: -109.794
flat angles C4'-P-C4' energy: -129.495
flat angles P-C4'-P energy: -82.540
tors. eta vs tors. theta energy: -201.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -2107.068928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.068928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.068928 (E_RNA)
where:
Base-Base interactions energy: -1453.137
where: short stacking energy: -587.098
Base-Backbone interact. energy: -1.254
local terms energy: -652.677759
where:
bonds (distance) C4'-P energy: -122.950
bonds (distance) P-C4' energy: -134.487
flat angles C4'-P-C4' energy: -131.915
flat angles P-C4'-P energy: -94.429
tors. eta vs tors. theta energy: -168.897
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: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1765.056766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.056766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.056766 (E_RNA)
where:
Base-Base interactions energy: -1208.037
where: short stacking energy: -501.015
Base-Backbone interact. energy: -4.861
local terms energy: -552.158082
where:
bonds (distance) C4'-P energy: -108.609
bonds (distance) P-C4' energy: -116.898
flat angles C4'-P-C4' energy: -121.536
flat angles P-C4'-P energy: -87.159
tors. eta vs tors. theta energy: -117.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1462.178639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.178639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.178639 (E_RNA)
where:
Base-Base interactions energy: -942.397
where: short stacking energy: -439.331
Base-Backbone interact. energy: 2.272
local terms energy: -522.053017
where:
bonds (distance) C4'-P energy: -114.790
bonds (distance) P-C4' energy: -127.118
flat angles C4'-P-C4' energy: -118.461
flat angles P-C4'-P energy: -59.686
tors. eta vs tors. theta energy: -101.999
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: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1274.550028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.550028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.550028 (E_RNA)
where:
Base-Base interactions energy: -845.605
where: short stacking energy: -368.457
Base-Backbone interact. energy: 0.106
local terms energy: -429.050679
where:
bonds (distance) C4'-P energy: -111.768
bonds (distance) P-C4' energy: -107.661
flat angles C4'-P-C4' energy: -110.088
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -35.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -1025.001090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.001090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.001090 (E_RNA)
where:
Base-Base interactions energy: -582.928
where: short stacking energy: -310.029
Base-Backbone interact. energy: 5.697
local terms energy: -447.770030
where:
bonds (distance) C4'-P energy: -101.738
bonds (distance) P-C4' energy: -127.965
flat angles C4'-P-C4' energy: -106.314
flat angles P-C4'-P energy: -70.508
tors. eta vs tors. theta energy: -41.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2576.943502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.943502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.943502 (E_RNA)
where:
Base-Base interactions energy: -1845.205
where: short stacking energy: -767.096
Base-Backbone interact. energy: 3.074
local terms energy: -734.812998
where:
bonds (distance) C4'-P energy: -134.064
bonds (distance) P-C4' energy: -138.888
flat angles C4'-P-C4' energy: -150.816
flat angles P-C4'-P energy: -98.404
tors. eta vs tors. theta energy: -212.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2490.779540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.779540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.779540 (E_RNA)
where:
Base-Base interactions energy: -1766.503
where: short stacking energy: -725.464
Base-Backbone interact. energy: -6.477
local terms energy: -717.799398
where:
bonds (distance) C4'-P energy: -137.616
bonds (distance) P-C4' energy: -143.986
flat angles C4'-P-C4' energy: -156.569
flat angles P-C4'-P energy: -84.129
tors. eta vs tors. theta energy: -195.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2439.112019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.112019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.112019 (E_RNA)
where:
Base-Base interactions energy: -1721.699
where: short stacking energy: -704.670
Base-Backbone interact. energy: -0.875
local terms energy: -716.538482
where:
bonds (distance) C4'-P energy: -135.487
bonds (distance) P-C4' energy: -126.916
flat angles C4'-P-C4' energy: -160.817
flat angles P-C4'-P energy: -95.285
tors. eta vs tors. theta energy: -198.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2244.563028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.563028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.563028 (E_RNA)
where:
Base-Base interactions energy: -1529.956
where: short stacking energy: -714.675
Base-Backbone interact. energy: 0.088
local terms energy: -714.695013
where:
bonds (distance) C4'-P energy: -137.349
bonds (distance) P-C4' energy: -126.879
flat angles C4'-P-C4' energy: -153.140
flat angles P-C4'-P energy: -93.036
tors. eta vs tors. theta energy: -204.290
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: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -2241.943339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.943339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.943339 (E_RNA)
where:
Base-Base interactions energy: -1537.237
where: short stacking energy: -695.092
Base-Backbone interact. energy: -1.201
local terms energy: -703.505650
where:
bonds (distance) C4'-P energy: -121.618
bonds (distance) P-C4' energy: -130.306
flat angles C4'-P-C4' energy: -166.893
flat angles P-C4'-P energy: -82.634
tors. eta vs tors. theta energy: -202.056
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: 6
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -2082.326763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.326763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.326763 (E_RNA)
where:
Base-Base interactions energy: -1464.329
where: short stacking energy: -600.235
Base-Backbone interact. energy: -0.581
local terms energy: -617.416387
where:
bonds (distance) C4'-P energy: -121.376
bonds (distance) P-C4' energy: -123.374
flat angles C4'-P-C4' energy: -134.748
flat angles P-C4'-P energy: -63.177
tors. eta vs tors. theta energy: -174.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1686.689015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.689015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.689015 (E_RNA)
where:
Base-Base interactions energy: -1128.807
where: short stacking energy: -464.115
Base-Backbone interact. energy: 6.383
local terms energy: -564.265872
where:
bonds (distance) C4'-P energy: -124.932
bonds (distance) P-C4' energy: -123.426
flat angles C4'-P-C4' energy: -127.808
flat angles P-C4'-P energy: -92.965
tors. eta vs tors. theta energy: -95.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1533.619109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.619109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.619109 (E_RNA)
where:
Base-Base interactions energy: -1011.334
where: short stacking energy: -470.668
Base-Backbone interact. energy: 0.030
local terms energy: -522.315092
where:
bonds (distance) C4'-P energy: -117.628
bonds (distance) P-C4' energy: -122.171
flat angles C4'-P-C4' energy: -108.458
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -103.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1278.191261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.191261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.191261 (E_RNA)
where:
Base-Base interactions energy: -849.976
where: short stacking energy: -369.048
Base-Backbone interact. energy: 3.324
local terms energy: -431.539359
where:
bonds (distance) C4'-P energy: -116.975
bonds (distance) P-C4' energy: -109.007
flat angles C4'-P-C4' energy: -97.596
flat angles P-C4'-P energy: -53.756
tors. eta vs tors. theta energy: -54.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -1056.512702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.512702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.512702 (E_RNA)
where:
Base-Base interactions energy: -631.393
where: short stacking energy: -294.827
Base-Backbone interact. energy: 1.074
local terms energy: -426.194055
where:
bonds (distance) C4'-P energy: -107.296
bonds (distance) P-C4' energy: -108.020
flat angles C4'-P-C4' energy: -118.420
flat angles P-C4'-P energy: -59.395
tors. eta vs tors. theta energy: -33.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2563.409743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.409743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.409743 (E_RNA)
where:
Base-Base interactions energy: -1836.638
where: short stacking energy: -747.273
Base-Backbone interact. energy: -4.966
local terms energy: -721.805453
where:
bonds (distance) C4'-P energy: -140.154
bonds (distance) P-C4' energy: -124.334
flat angles C4'-P-C4' energy: -158.561
flat angles P-C4'-P energy: -92.781
tors. eta vs tors. theta energy: -205.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2513.520361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.520361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.520361 (E_RNA)
where:
Base-Base interactions energy: -1795.763
where: short stacking energy: -734.160
Base-Backbone interact. energy: 3.724
local terms energy: -721.480945
where:
bonds (distance) C4'-P energy: -139.264
bonds (distance) P-C4' energy: -129.448
flat angles C4'-P-C4' energy: -150.850
flat angles P-C4'-P energy: -105.586
tors. eta vs tors. theta energy: -196.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2411.644353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.644353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.644353 (E_RNA)
where:
Base-Base interactions energy: -1698.623
where: short stacking energy: -716.070
Base-Backbone interact. energy: 6.758
local terms energy: -719.778911
where:
bonds (distance) C4'-P energy: -127.785
bonds (distance) P-C4' energy: -134.872
flat angles C4'-P-C4' energy: -154.083
flat angles P-C4'-P energy: -106.273
tors. eta vs tors. theta energy: -196.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2244.316780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.316780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.316780 (E_RNA)
where:
Base-Base interactions energy: -1563.163
where: short stacking energy: -720.183
Base-Backbone interact. energy: -0.846
local terms energy: -680.307345
where:
bonds (distance) C4'-P energy: -113.416
bonds (distance) P-C4' energy: -133.139
flat angles C4'-P-C4' energy: -141.223
flat angles P-C4'-P energy: -90.714
tors. eta vs tors. theta energy: -201.816
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: 269
Temperature: 1.100000
Total energy: -2263.444215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.444215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.444215 (E_RNA)
where:
Base-Base interactions energy: -1571.232
where: short stacking energy: -690.365
Base-Backbone interact. energy: 1.543
local terms energy: -693.755479
where:
bonds (distance) C4'-P energy: -121.277
bonds (distance) P-C4' energy: -126.295
flat angles C4'-P-C4' energy: -141.699
flat angles P-C4'-P energy: -100.749
tors. eta vs tors. theta energy: -203.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -2139.438018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.438018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.438018 (E_RNA)
where:
Base-Base interactions energy: -1500.414
where: short stacking energy: -656.582
Base-Backbone interact. energy: -2.408
local terms energy: -636.615356
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -127.100
flat angles C4'-P-C4' energy: -135.480
flat angles P-C4'-P energy: -80.722
tors. eta vs tors. theta energy: -178.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1663.949890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.949890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.949890 (E_RNA)
where:
Base-Base interactions energy: -1118.399
where: short stacking energy: -475.886
Base-Backbone interact. energy: -1.263
local terms energy: -544.287638
where:
bonds (distance) C4'-P energy: -112.833
bonds (distance) P-C4' energy: -119.866
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -75.337
tors. eta vs tors. theta energy: -101.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1579.852139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.852139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.852139 (E_RNA)
where:
Base-Base interactions energy: -1059.847
where: short stacking energy: -464.953
Base-Backbone interact. energy: -0.231
local terms energy: -519.774454
where:
bonds (distance) C4'-P energy: -101.761
bonds (distance) P-C4' energy: -118.031
flat angles C4'-P-C4' energy: -125.331
flat angles P-C4'-P energy: -78.484
tors. eta vs tors. theta energy: -96.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1332.255071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.255071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.255071 (E_RNA)
where:
Base-Base interactions energy: -870.246
where: short stacking energy: -385.447
Base-Backbone interact. energy: 2.651
local terms energy: -464.659753
where:
bonds (distance) C4'-P energy: -95.323
bonds (distance) P-C4' energy: -112.540
flat angles C4'-P-C4' energy: -126.533
flat angles P-C4'-P energy: -64.631
tors. eta vs tors. theta energy: -65.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -1062.838231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.838231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.838231 (E_RNA)
where:
Base-Base interactions energy: -635.381
where: short stacking energy: -317.319
Base-Backbone interact. energy: 8.820
local terms energy: -436.277116
where:
bonds (distance) C4'-P energy: -108.298
bonds (distance) P-C4' energy: -126.120
flat angles C4'-P-C4' energy: -114.004
flat angles P-C4'-P energy: -58.797
tors. eta vs tors. theta energy: -29.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2592.629400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.629400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.629400 (E_RNA)
where:
Base-Base interactions energy: -1838.955
where: short stacking energy: -752.622
Base-Backbone interact. energy: -4.813
local terms energy: -748.861186
where:
bonds (distance) C4'-P energy: -134.095
bonds (distance) P-C4' energy: -138.360
flat angles C4'-P-C4' energy: -154.327
flat angles P-C4'-P energy: -111.604
tors. eta vs tors. theta energy: -210.475
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: 3
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2490.276724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.276724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.276724 (E_RNA)
where:
Base-Base interactions energy: -1763.690
where: short stacking energy: -722.810
Base-Backbone interact. energy: -7.050
local terms energy: -719.536350
where:
bonds (distance) C4'-P energy: -121.456
bonds (distance) P-C4' energy: -136.821
flat angles C4'-P-C4' energy: -163.825
flat angles P-C4'-P energy: -106.020
tors. eta vs tors. theta energy: -191.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2437.213815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.213815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.213815 (E_RNA)
where:
Base-Base interactions energy: -1730.894
where: short stacking energy: -706.887
Base-Backbone interact. energy: -1.105
local terms energy: -705.215140
where:
bonds (distance) C4'-P energy: -128.866
bonds (distance) P-C4' energy: -126.417
flat angles C4'-P-C4' energy: -144.949
flat angles P-C4'-P energy: -114.566
tors. eta vs tors. theta energy: -190.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2260.511146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.511146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.511146 (E_RNA)
where:
Base-Base interactions energy: -1586.741
where: short stacking energy: -717.342
Base-Backbone interact. energy: -0.887
local terms energy: -672.883199
where:
bonds (distance) C4'-P energy: -120.451
bonds (distance) P-C4' energy: -108.882
flat angles C4'-P-C4' energy: -141.955
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -212.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -2273.092005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.092005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.092005 (E_RNA)
where:
Base-Base interactions energy: -1595.048
where: short stacking energy: -681.082
Base-Backbone interact. energy: -3.200
local terms energy: -674.843793
where:
bonds (distance) C4'-P energy: -124.252
bonds (distance) P-C4' energy: -127.459
flat angles C4'-P-C4' energy: -134.111
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -196.025
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: 6
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -2095.493737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.493737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.493737 (E_RNA)
where:
Base-Base interactions energy: -1479.317
where: short stacking energy: -617.299
Base-Backbone interact. energy: 1.071
local terms energy: -617.247264
where:
bonds (distance) C4'-P energy: -123.155
bonds (distance) P-C4' energy: -107.330
flat angles C4'-P-C4' energy: -142.865
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -163.715
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: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1633.513535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.513535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.513535 (E_RNA)
where:
Base-Base interactions energy: -1117.405
where: short stacking energy: -495.037
Base-Backbone interact. energy: 3.329
local terms energy: -519.437327
where:
bonds (distance) C4'-P energy: -96.684
bonds (distance) P-C4' energy: -114.843
flat angles C4'-P-C4' energy: -131.289
flat angles P-C4'-P energy: -77.306
tors. eta vs tors. theta energy: -99.316
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: 1
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1557.167646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.167646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.167646 (E_RNA)
where:
Base-Base interactions energy: -1043.458
where: short stacking energy: -455.973
Base-Backbone interact. energy: -4.799
local terms energy: -508.909884
where:
bonds (distance) C4'-P energy: -122.745
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -118.706
flat angles P-C4'-P energy: -63.927
tors. eta vs tors. theta energy: -98.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1335.061146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.061146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.061146 (E_RNA)
where:
Base-Base interactions energy: -902.013
where: short stacking energy: -380.457
Base-Backbone interact. energy: 1.099
local terms energy: -434.147206
where:
bonds (distance) C4'-P energy: -90.249
bonds (distance) P-C4' energy: -120.852
flat angles C4'-P-C4' energy: -108.445
flat angles P-C4'-P energy: -50.784
tors. eta vs tors. theta energy: -63.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -982.382777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.382777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.382777 (E_RNA)
where:
Base-Base interactions energy: -601.785
where: short stacking energy: -287.264
Base-Backbone interact. energy: -1.574
local terms energy: -379.023452
where:
bonds (distance) C4'-P energy: -105.861
bonds (distance) P-C4' energy: -97.069
flat angles C4'-P-C4' energy: -112.355
flat angles P-C4'-P energy: -50.071
tors. eta vs tors. theta energy: -13.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2572.662041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.662041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.662041 (E_RNA)
where:
Base-Base interactions energy: -1814.100
where: short stacking energy: -766.146
Base-Backbone interact. energy: -5.418
local terms energy: -753.144749
where:
bonds (distance) C4'-P energy: -137.681
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -151.824
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -219.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2480.381434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.381434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.381434 (E_RNA)
where:
Base-Base interactions energy: -1756.210
where: short stacking energy: -710.787
Base-Backbone interact. energy: 1.696
local terms energy: -725.867863
where:
bonds (distance) C4'-P energy: -133.101
bonds (distance) P-C4' energy: -146.186
flat angles C4'-P-C4' energy: -166.539
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -189.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2423.465420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.465420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.465420 (E_RNA)
where:
Base-Base interactions energy: -1736.095
where: short stacking energy: -729.528
Base-Backbone interact. energy: -1.300
local terms energy: -686.070322
where:
bonds (distance) C4'-P energy: -131.736
bonds (distance) P-C4' energy: -110.627
flat angles C4'-P-C4' energy: -159.666
flat angles P-C4'-P energy: -92.743
tors. eta vs tors. theta energy: -191.297
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -2316.453703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.453703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.453703 (E_RNA)
where:
Base-Base interactions energy: -1601.332
where: short stacking energy: -702.205
Base-Backbone interact. energy: 0.441
local terms energy: -715.562893
where:
bonds (distance) C4'-P energy: -131.349
bonds (distance) P-C4' energy: -130.738
flat angles C4'-P-C4' energy: -151.369
flat angles P-C4'-P energy: -106.205
tors. eta vs tors. theta energy: -195.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2221.686979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.686979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.686979 (E_RNA)
where:
Base-Base interactions energy: -1547.826
where: short stacking energy: -680.441
Base-Backbone interact. energy: -0.475
local terms energy: -673.385755
where:
bonds (distance) C4'-P energy: -109.446
bonds (distance) P-C4' energy: -131.095
flat angles C4'-P-C4' energy: -139.502
flat angles P-C4'-P energy: -105.676
tors. eta vs tors. theta energy: -187.667
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: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -2092.187870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.187870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.187870 (E_RNA)
where:
Base-Base interactions energy: -1456.719
where: short stacking energy: -634.828
Base-Backbone interact. energy: -1.737
local terms energy: -633.731589
where:
bonds (distance) C4'-P energy: -126.072
bonds (distance) P-C4' energy: -119.662
flat angles C4'-P-C4' energy: -133.152
flat angles P-C4'-P energy: -87.358
tors. eta vs tors. theta energy: -167.488
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1700.172304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.172304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.172304 (E_RNA)
where:
Base-Base interactions energy: -1202.266
where: short stacking energy: -507.103
Base-Backbone interact. energy: 0.139
local terms energy: -498.045043
where:
bonds (distance) C4'-P energy: -103.366
bonds (distance) P-C4' energy: -115.450
flat angles C4'-P-C4' energy: -107.215
flat angles P-C4'-P energy: -59.365
tors. eta vs tors. theta energy: -112.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1541.818872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.818872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.818872 (E_RNA)
where:
Base-Base interactions energy: -1029.765
where: short stacking energy: -443.243
Base-Backbone interact. energy: -0.278
local terms energy: -511.776551
where:
bonds (distance) C4'-P energy: -105.229
bonds (distance) P-C4' energy: -123.115
flat angles C4'-P-C4' energy: -122.905
flat angles P-C4'-P energy: -68.398
tors. eta vs tors. theta energy: -92.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1387.647232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.647232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.647232 (E_RNA)
where:
Base-Base interactions energy: -957.662
where: short stacking energy: -411.884
Base-Backbone interact. energy: -0.641
local terms energy: -429.344698
where:
bonds (distance) C4'-P energy: -108.093
bonds (distance) P-C4' energy: -104.878
flat angles C4'-P-C4' energy: -98.786
flat angles P-C4'-P energy: -59.858
tors. eta vs tors. theta energy: -57.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -1006.477316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.477316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.477316 (E_RNA)
where:
Base-Base interactions energy: -575.308
where: short stacking energy: -251.398
Base-Backbone interact. energy: -0.963
local terms energy: -430.206807
where:
bonds (distance) C4'-P energy: -116.914
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -104.301
flat angles P-C4'-P energy: -56.339
tors. eta vs tors. theta energy: -25.104
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: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2553.409817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.409817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.409817 (E_RNA)
where:
Base-Base interactions energy: -1779.479
where: short stacking energy: -756.222
Base-Backbone interact. energy: -3.562
local terms energy: -770.369540
where:
bonds (distance) C4'-P energy: -152.299
bonds (distance) P-C4' energy: -144.834
flat angles C4'-P-C4' energy: -155.247
flat angles P-C4'-P energy: -95.810
tors. eta vs tors. theta energy: -222.180
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: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2471.030908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.030908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.030908 (E_RNA)
where:
Base-Base interactions energy: -1790.351
where: short stacking energy: -712.272
Base-Backbone interact. energy: -1.816
local terms energy: -678.863808
where:
bonds (distance) C4'-P energy: -121.984
bonds (distance) P-C4' energy: -124.898
flat angles C4'-P-C4' energy: -147.664
flat angles P-C4'-P energy: -88.282
tors. eta vs tors. theta energy: -196.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2418.108135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.108135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.108135 (E_RNA)
where:
Base-Base interactions energy: -1738.204
where: short stacking energy: -707.550
Base-Backbone interact. energy: -2.926
local terms energy: -676.978184
where:
bonds (distance) C4'-P energy: -116.935
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -135.076
flat angles P-C4'-P energy: -81.403
tors. eta vs tors. theta energy: -204.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2351.277254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.277254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.277254 (E_RNA)
where:
Base-Base interactions energy: -1671.231
where: short stacking energy: -722.281
Base-Backbone interact. energy: 3.708
local terms energy: -683.754269
where:
bonds (distance) C4'-P energy: -121.641
bonds (distance) P-C4' energy: -127.914
flat angles C4'-P-C4' energy: -151.242
flat angles P-C4'-P energy: -87.196
tors. eta vs tors. theta energy: -195.761
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: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -2181.041216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.041216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.041216 (E_RNA)
where:
Base-Base interactions energy: -1522.200
where: short stacking energy: -689.744
Base-Backbone interact. energy: -1.656
local terms energy: -657.185093
where:
bonds (distance) C4'-P energy: -130.428
bonds (distance) P-C4' energy: -122.776
flat angles C4'-P-C4' energy: -151.023
flat angles P-C4'-P energy: -72.474
tors. eta vs tors. theta energy: -180.485
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: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -2077.793239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.793239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.793239 (E_RNA)
where:
Base-Base interactions energy: -1427.556
where: short stacking energy: -619.150
Base-Backbone interact. energy: -1.501
local terms energy: -648.736752
where:
bonds (distance) C4'-P energy: -123.433
bonds (distance) P-C4' energy: -117.718
flat angles C4'-P-C4' energy: -144.144
flat angles P-C4'-P energy: -88.468
tors. eta vs tors. theta energy: -174.974
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: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1781.660257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.660257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.660257 (E_RNA)
where:
Base-Base interactions energy: -1190.707
where: short stacking energy: -550.663
Base-Backbone interact. energy: 1.407
local terms energy: -592.360142
where:
bonds (distance) C4'-P energy: -118.439
bonds (distance) P-C4' energy: -126.531
flat angles C4'-P-C4' energy: -128.952
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -127.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1537.665508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.665508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.665508 (E_RNA)
where:
Base-Base interactions energy: -1027.351
where: short stacking energy: -475.160
Base-Backbone interact. energy: 0.034
local terms energy: -510.348154
where:
bonds (distance) C4'-P energy: -102.717
bonds (distance) P-C4' energy: -101.425
flat angles C4'-P-C4' energy: -132.297
flat angles P-C4'-P energy: -70.968
tors. eta vs tors. theta energy: -102.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1250.440208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.440208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.440208 (E_RNA)
where:
Base-Base interactions energy: -798.285
where: short stacking energy: -355.704
Base-Backbone interact. energy: -3.439
local terms energy: -448.716036
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -123.450
flat angles C4'-P-C4' energy: -111.807
flat angles P-C4'-P energy: -53.922
tors. eta vs tors. theta energy: -60.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -1011.184521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.184521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.184521 (E_RNA)
where:
Base-Base interactions energy: -604.475
where: short stacking energy: -292.169
Base-Backbone interact. energy: -0.690
local terms energy: -406.019619
where:
bonds (distance) C4'-P energy: -106.469
bonds (distance) P-C4' energy: -118.331
flat angles C4'-P-C4' energy: -90.417
flat angles P-C4'-P energy: -65.568
tors. eta vs tors. theta energy: -25.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2556.661439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.661439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.661439 (E_RNA)
where:
Base-Base interactions energy: -1818.091
where: short stacking energy: -750.340
Base-Backbone interact. energy: -3.101
local terms energy: -735.469359
where:
bonds (distance) C4'-P energy: -120.488
bonds (distance) P-C4' energy: -152.360
flat angles C4'-P-C4' energy: -159.371
flat angles P-C4'-P energy: -98.784
tors. eta vs tors. theta energy: -204.467
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: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2464.599248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.599248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.599248 (E_RNA)
where:
Base-Base interactions energy: -1750.858
where: short stacking energy: -712.942
Base-Backbone interact. energy: -0.490
local terms energy: -713.251683
where:
bonds (distance) C4'-P energy: -132.685
bonds (distance) P-C4' energy: -131.336
flat angles C4'-P-C4' energy: -151.232
flat angles P-C4'-P energy: -105.926
tors. eta vs tors. theta energy: -192.072
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: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2412.662746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.662746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.662746 (E_RNA)
where:
Base-Base interactions energy: -1733.429
where: short stacking energy: -686.999
Base-Backbone interact. energy: -0.697
local terms energy: -678.537315
where:
bonds (distance) C4'-P energy: -110.246
bonds (distance) P-C4' energy: -119.034
flat angles C4'-P-C4' energy: -158.162
flat angles P-C4'-P energy: -91.473
tors. eta vs tors. theta energy: -199.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2264.831831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.831831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.831831 (E_RNA)
where:
Base-Base interactions energy: -1578.890
where: short stacking energy: -696.395
Base-Backbone interact. energy: -3.269
local terms energy: -682.672049
where:
bonds (distance) C4'-P energy: -124.938
bonds (distance) P-C4' energy: -112.172
flat angles C4'-P-C4' energy: -159.470
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -205.204
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: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -2262.456010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.456010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.456010 (E_RNA)
where:
Base-Base interactions energy: -1578.587
where: short stacking energy: -705.559
Base-Backbone interact. energy: -4.147
local terms energy: -679.722015
where:
bonds (distance) C4'-P energy: -131.096
bonds (distance) P-C4' energy: -116.309
flat angles C4'-P-C4' energy: -148.253
flat angles P-C4'-P energy: -84.789
tors. eta vs tors. theta energy: -199.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -2062.459470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.459470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.459470 (E_RNA)
where:
Base-Base interactions energy: -1436.288
where: short stacking energy: -621.025
Base-Backbone interact. energy: -1.431
local terms energy: -624.740650
where:
bonds (distance) C4'-P energy: -109.176
bonds (distance) P-C4' energy: -126.787
flat angles C4'-P-C4' energy: -139.870
flat angles P-C4'-P energy: -90.300
tors. eta vs tors. theta energy: -158.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1729.227908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.227908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.227908 (E_RNA)
where:
Base-Base interactions energy: -1180.968
where: short stacking energy: -524.946
Base-Backbone interact. energy: -0.260
local terms energy: -547.999229
where:
bonds (distance) C4'-P energy: -114.657
bonds (distance) P-C4' energy: -125.697
flat angles C4'-P-C4' energy: -131.977
flat angles P-C4'-P energy: -65.194
tors. eta vs tors. theta energy: -110.474
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: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1480.307481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.307481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.307481 (E_RNA)
where:
Base-Base interactions energy: -982.163
where: short stacking energy: -427.612
Base-Backbone interact. energy: 1.577
local terms energy: -499.721682
where:
bonds (distance) C4'-P energy: -108.115
bonds (distance) P-C4' energy: -104.290
flat angles C4'-P-C4' energy: -129.155
flat angles P-C4'-P energy: -85.848
tors. eta vs tors. theta energy: -72.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1274.632459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.632459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.632459 (E_RNA)
where:
Base-Base interactions energy: -813.896
where: short stacking energy: -376.582
Base-Backbone interact. energy: 2.761
local terms energy: -463.497765
where:
bonds (distance) C4'-P energy: -96.863
bonds (distance) P-C4' energy: -126.349
flat angles C4'-P-C4' energy: -101.151
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -66.029
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: 8
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -1087.064812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.064812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.064812 (E_RNA)
where:
Base-Base interactions energy: -644.715
where: short stacking energy: -329.343
Base-Backbone interact. energy: 0.310
local terms energy: -442.659240
where:
bonds (distance) C4'-P energy: -78.222
bonds (distance) P-C4' energy: -133.963
flat angles C4'-P-C4' energy: -119.954
flat angles P-C4'-P energy: -74.232
tors. eta vs tors. theta energy: -36.288
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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2554.970513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.970513 (E_RNA)
where:
Base-Base interactions energy: -1808.723
where: short stacking energy: -728.997
Base-Backbone interact. energy: -3.842
local terms energy: -742.405595
where:
bonds (distance) C4'-P energy: -128.238
bonds (distance) P-C4' energy: -134.464
flat angles C4'-P-C4' energy: -160.203
flat angles P-C4'-P energy: -104.444
tors. eta vs tors. theta energy: -215.056
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: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2486.857777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.857777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.857777 (E_RNA)
where:
Base-Base interactions energy: -1759.702
where: short stacking energy: -722.083
Base-Backbone interact. energy: -2.005
local terms energy: -725.151177
where:
bonds (distance) C4'-P energy: -139.075
bonds (distance) P-C4' energy: -114.767
flat angles C4'-P-C4' energy: -158.066
flat angles P-C4'-P energy: -108.830
tors. eta vs tors. theta energy: -204.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2412.944189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.944189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.944189 (E_RNA)
where:
Base-Base interactions energy: -1693.223
where: short stacking energy: -704.382
Base-Backbone interact. energy: -6.859
local terms energy: -712.862518
where:
bonds (distance) C4'-P energy: -124.364
bonds (distance) P-C4' energy: -143.401
flat angles C4'-P-C4' energy: -144.083
flat angles P-C4'-P energy: -102.883
tors. eta vs tors. theta energy: -198.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -2265.462988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.462988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.462988 (E_RNA)
where:
Base-Base interactions energy: -1562.665
where: short stacking energy: -694.873
Base-Backbone interact. energy: 0.218
local terms energy: -703.015533
where:
bonds (distance) C4'-P energy: -136.538
bonds (distance) P-C4' energy: -126.586
flat angles C4'-P-C4' energy: -132.844
flat angles P-C4'-P energy: -101.552
tors. eta vs tors. theta energy: -205.497
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: 274
Temperature: 1.100000
Total energy: -2235.660382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.660382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.660382 (E_RNA)
where:
Base-Base interactions energy: -1544.359
where: short stacking energy: -666.609
Base-Backbone interact. energy: -3.695
local terms energy: -687.606489
where:
bonds (distance) C4'-P energy: -123.849
bonds (distance) P-C4' energy: -126.202
flat angles C4'-P-C4' energy: -147.663
flat angles P-C4'-P energy: -102.628
tors. eta vs tors. theta energy: -187.265
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: 6, replica: 6
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -2076.739173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.739173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.739173 (E_RNA)
where:
Base-Base interactions energy: -1443.656
where: short stacking energy: -623.078
Base-Backbone interact. energy: -1.517
local terms energy: -631.565358
where:
bonds (distance) C4'-P energy: -122.961
bonds (distance) P-C4' energy: -132.484
flat angles C4'-P-C4' energy: -132.763
flat angles P-C4'-P energy: -79.018
tors. eta vs tors. theta energy: -164.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1824.527424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.527424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.527424 (E_RNA)
where:
Base-Base interactions energy: -1247.835
where: short stacking energy: -526.403
Base-Backbone interact. energy: 2.076
local terms energy: -578.768379
where:
bonds (distance) C4'-P energy: -108.900
bonds (distance) P-C4' energy: -130.634
flat angles C4'-P-C4' energy: -127.414
flat angles P-C4'-P energy: -83.198
tors. eta vs tors. theta energy: -128.622
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: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1526.554319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.554319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.554319 (E_RNA)
where:
Base-Base interactions energy: -1001.168
where: short stacking energy: -438.249
Base-Backbone interact. energy: -2.492
local terms energy: -522.894472
where:
bonds (distance) C4'-P energy: -107.013
bonds (distance) P-C4' energy: -127.848
flat angles C4'-P-C4' energy: -110.863
flat angles P-C4'-P energy: -80.988
tors. eta vs tors. theta energy: -96.182
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: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1323.699918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.699918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.699918 (E_RNA)
where:
Base-Base interactions energy: -854.261
where: short stacking energy: -374.295
Base-Backbone interact. energy: -1.324
local terms energy: -468.115218
where:
bonds (distance) C4'-P energy: -115.523
bonds (distance) P-C4' energy: -110.493
flat angles C4'-P-C4' energy: -110.910
flat angles P-C4'-P energy: -72.876
tors. eta vs tors. theta energy: -58.313
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: 8
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -1071.645967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.645967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.645967 (E_RNA)
where:
Base-Base interactions energy: -651.678
where: short stacking energy: -328.551
Base-Backbone interact. energy: -2.019
local terms energy: -417.948875
where:
bonds (distance) C4'-P energy: -97.145
bonds (distance) P-C4' energy: -103.958
flat angles C4'-P-C4' energy: -107.714
flat angles P-C4'-P energy: -58.501
tors. eta vs tors. theta energy: -50.631
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: 275
Temperature: 0.900000
Total energy: -2550.283930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.283930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.283930 (E_RNA)
where:
Base-Base interactions energy: -1805.824
where: short stacking energy: -774.435
Base-Backbone interact. energy: -3.878
local terms energy: -740.581560
where:
bonds (distance) C4'-P energy: -131.342
bonds (distance) P-C4' energy: -127.214
flat angles C4'-P-C4' energy: -159.687
flat angles P-C4'-P energy: -108.573
tors. eta vs tors. theta energy: -213.766
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: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2492.103676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.103676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.103676 (E_RNA)
where:
Base-Base interactions energy: -1774.740
where: short stacking energy: -706.976
Base-Backbone interact. energy: -2.644
local terms energy: -714.718809
where:
bonds (distance) C4'-P energy: -120.718
bonds (distance) P-C4' energy: -140.976
flat angles C4'-P-C4' energy: -146.916
flat angles P-C4'-P energy: -105.766
tors. eta vs tors. theta energy: -200.344
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: 275
Temperature: 1.000000
Total energy: -2420.092979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.092979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.092979 (E_RNA)
where:
Base-Base interactions energy: -1736.652
where: short stacking energy: -687.321
Base-Backbone interact. energy: -2.251
local terms energy: -681.189468
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -119.001
flat angles C4'-P-C4' energy: -147.876
flat angles P-C4'-P energy: -86.037
tors. eta vs tors. theta energy: -195.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2290.168060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.168060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.168060 (E_RNA)
where:
Base-Base interactions energy: -1565.690
where: short stacking energy: -673.889
Base-Backbone interact. energy: -1.776
local terms energy: -722.701651
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -147.176
flat angles P-C4'-P energy: -99.679
tors. eta vs tors. theta energy: -196.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -2252.365903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.365903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.365903 (E_RNA)
where:
Base-Base interactions energy: -1552.493
where: short stacking energy: -697.003
Base-Backbone interact. energy: -2.132
local terms energy: -697.740651
where:
bonds (distance) C4'-P energy: -130.707
bonds (distance) P-C4' energy: -115.520
flat angles C4'-P-C4' energy: -147.680
flat angles P-C4'-P energy: -102.589
tors. eta vs tors. theta energy: -201.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -2070.026140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.026140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.026140 (E_RNA)
where:
Base-Base interactions energy: -1421.781
where: short stacking energy: -614.051
Base-Backbone interact. energy: -5.283
local terms energy: -642.962373
where:
bonds (distance) C4'-P energy: -107.358
bonds (distance) P-C4' energy: -131.278
flat angles C4'-P-C4' energy: -143.887
flat angles P-C4'-P energy: -84.647
tors. eta vs tors. theta energy: -175.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1839.122171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.122171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.122171 (E_RNA)
where:
Base-Base interactions energy: -1237.437
where: short stacking energy: -519.274
Base-Backbone interact. energy: 4.507
local terms energy: -606.191393
where:
bonds (distance) C4'-P energy: -129.992
bonds (distance) P-C4' energy: -132.036
flat angles C4'-P-C4' energy: -125.753
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -129.662
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: 1
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1527.603524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.603524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.603524 (E_RNA)
where:
Base-Base interactions energy: -1022.844
where: short stacking energy: -450.105
Base-Backbone interact. energy: -2.320
local terms energy: -502.439636
where:
bonds (distance) C4'-P energy: -109.323
bonds (distance) P-C4' energy: -123.512
flat angles C4'-P-C4' energy: -118.249
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -96.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1292.988688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.988688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.988688 (E_RNA)
where:
Base-Base interactions energy: -819.340
where: short stacking energy: -366.061
Base-Backbone interact. energy: -3.419
local terms energy: -470.229415
where:
bonds (distance) C4'-P energy: -114.573
bonds (distance) P-C4' energy: -108.449
flat angles C4'-P-C4' energy: -113.710
flat angles P-C4'-P energy: -84.559
tors. eta vs tors. theta energy: -48.938
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: 8
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -1108.004045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.004045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.004045 (E_RNA)
where:
Base-Base interactions energy: -700.699
where: short stacking energy: -357.348
Base-Backbone interact. energy: 3.959
local terms energy: -411.264010
where:
bonds (distance) C4'-P energy: -109.612
bonds (distance) P-C4' energy: -103.027
flat angles C4'-P-C4' energy: -93.931
flat angles P-C4'-P energy: -63.177
tors. eta vs tors. theta energy: -41.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2573.171809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.171809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.171809 (E_RNA)
where:
Base-Base interactions energy: -1845.900
where: short stacking energy: -767.938
Base-Backbone interact. energy: 0.148
local terms energy: -727.419348
where:
bonds (distance) C4'-P energy: -133.285
bonds (distance) P-C4' energy: -142.213
flat angles C4'-P-C4' energy: -145.269
flat angles P-C4'-P energy: -97.398
tors. eta vs tors. theta energy: -209.255
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: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2472.275482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.275482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.275482 (E_RNA)
where:
Base-Base interactions energy: -1771.434
where: short stacking energy: -722.792
Base-Backbone interact. energy: -5.423
local terms energy: -695.418520
where:
bonds (distance) C4'-P energy: -132.286
bonds (distance) P-C4' energy: -127.611
flat angles C4'-P-C4' energy: -141.884
flat angles P-C4'-P energy: -86.420
tors. eta vs tors. theta energy: -207.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2463.199254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.199254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.199254 (E_RNA)
where:
Base-Base interactions energy: -1744.612
where: short stacking energy: -716.285
Base-Backbone interact. energy: 0.913
local terms energy: -719.500163
where:
bonds (distance) C4'-P energy: -131.053
bonds (distance) P-C4' energy: -140.593
flat angles C4'-P-C4' energy: -154.928
flat angles P-C4'-P energy: -87.171
tors. eta vs tors. theta energy: -205.755
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: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2343.394128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.394128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.394128 (E_RNA)
where:
Base-Base interactions energy: -1637.510
where: short stacking energy: -717.320
Base-Backbone interact. energy: -0.747
local terms energy: -705.137019
where:
bonds (distance) C4'-P energy: -132.187
bonds (distance) P-C4' energy: -112.405
flat angles C4'-P-C4' energy: -162.933
flat angles P-C4'-P energy: -98.602
tors. eta vs tors. theta energy: -199.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2232.565903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.565903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.565903 (E_RNA)
where:
Base-Base interactions energy: -1555.163
where: short stacking energy: -694.028
Base-Backbone interact. energy: -1.848
local terms energy: -675.555106
where:
bonds (distance) C4'-P energy: -117.190
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -151.584
flat angles P-C4'-P energy: -87.649
tors. eta vs tors. theta energy: -204.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -2079.909522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.909522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.909522 (E_RNA)
where:
Base-Base interactions energy: -1415.775
where: short stacking energy: -612.763
Base-Backbone interact. energy: -1.399
local terms energy: -662.735427
where:
bonds (distance) C4'-P energy: -146.162
bonds (distance) P-C4' energy: -97.618
flat angles C4'-P-C4' energy: -146.477
flat angles P-C4'-P energy: -93.109
tors. eta vs tors. theta energy: -179.370
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: 7, replica: 9
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1814.714689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.714689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.714689 (E_RNA)
where:
Base-Base interactions energy: -1255.021
where: short stacking energy: -535.516
Base-Backbone interact. energy: -4.808
local terms energy: -554.885322
where:
bonds (distance) C4'-P energy: -106.145
bonds (distance) P-C4' energy: -119.511
flat angles C4'-P-C4' energy: -133.976
flat angles P-C4'-P energy: -69.306
tors. eta vs tors. theta energy: -125.947
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: 1
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1512.834773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.834773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.834773 (E_RNA)
where:
Base-Base interactions energy: -991.735
where: short stacking energy: -442.580
Base-Backbone interact. energy: 0.055
local terms energy: -521.154044
where:
bonds (distance) C4'-P energy: -113.325
bonds (distance) P-C4' energy: -116.457
flat angles C4'-P-C4' energy: -109.734
flat angles P-C4'-P energy: -91.583
tors. eta vs tors. theta energy: -90.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1302.750293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.750293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.750293 (E_RNA)
where:
Base-Base interactions energy: -830.297
where: short stacking energy: -392.330
Base-Backbone interact. energy: -0.571
local terms energy: -471.882271
where:
bonds (distance) C4'-P energy: -128.115
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -114.426
flat angles P-C4'-P energy: -58.757
tors. eta vs tors. theta energy: -57.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -1071.954479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.954479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.954479 (E_RNA)
where:
Base-Base interactions energy: -663.632
where: short stacking energy: -340.463
Base-Backbone interact. energy: -0.505
local terms energy: -407.816704
where:
bonds (distance) C4'-P energy: -98.558
bonds (distance) P-C4' energy: -103.165
flat angles C4'-P-C4' energy: -89.343
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -53.451
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: 277
Temperature: 0.900000
Total energy: -2580.893698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.893698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.893698 (E_RNA)
where:
Base-Base interactions energy: -1820.155
where: short stacking energy: -752.835
Base-Backbone interact. energy: -3.551
local terms energy: -757.187015
where:
bonds (distance) C4'-P energy: -139.557
bonds (distance) P-C4' energy: -138.996
flat angles C4'-P-C4' energy: -157.697
flat angles P-C4'-P energy: -103.173
tors. eta vs tors. theta energy: -217.764
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: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2502.873195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.873195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.873195 (E_RNA)
where:
Base-Base interactions energy: -1774.983
where: short stacking energy: -730.894
Base-Backbone interact. energy: -0.719
local terms energy: -727.170847
where:
bonds (distance) C4'-P energy: -131.711
bonds (distance) P-C4' energy: -137.522
flat angles C4'-P-C4' energy: -153.928
flat angles P-C4'-P energy: -105.766
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2445.053853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.053853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.053853 (E_RNA)
where:
Base-Base interactions energy: -1728.797
where: short stacking energy: -716.304
Base-Backbone interact. energy: -7.126
local terms energy: -709.130656
where:
bonds (distance) C4'-P energy: -126.924
bonds (distance) P-C4' energy: -148.095
flat angles C4'-P-C4' energy: -146.962
flat angles P-C4'-P energy: -92.596
tors. eta vs tors. theta energy: -194.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2336.104407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.104407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.104407 (E_RNA)
where:
Base-Base interactions energy: -1612.640
where: short stacking energy: -703.473
Base-Backbone interact. energy: -0.220
local terms energy: -723.244621
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -135.949
flat angles C4'-P-C4' energy: -144.183
flat angles P-C4'-P energy: -97.458
tors. eta vs tors. theta energy: -210.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2180.397835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.397835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.397835 (E_RNA)
where:
Base-Base interactions energy: -1522.942
where: short stacking energy: -669.666
Base-Backbone interact. energy: -1.266
local terms energy: -656.189094
where:
bonds (distance) C4'-P energy: -119.141
bonds (distance) P-C4' energy: -107.924
flat angles C4'-P-C4' energy: -141.922
flat angles P-C4'-P energy: -91.073
tors. eta vs tors. theta energy: -196.129
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: 6
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -2100.184723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.184723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.184723 (E_RNA)
where:
Base-Base interactions energy: -1443.264
where: short stacking energy: -614.243
Base-Backbone interact. energy: -2.938
local terms energy: -653.982818
where:
bonds (distance) C4'-P energy: -115.170
bonds (distance) P-C4' energy: -133.720
flat angles C4'-P-C4' energy: -136.120
flat angles P-C4'-P energy: -98.241
tors. eta vs tors. theta energy: -170.732
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: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1826.888734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.888734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.888734 (E_RNA)
where:
Base-Base interactions energy: -1272.295
where: short stacking energy: -542.466
Base-Backbone interact. energy: -2.345
local terms energy: -552.248824
where:
bonds (distance) C4'-P energy: -99.964
bonds (distance) P-C4' energy: -126.808
flat angles C4'-P-C4' energy: -129.721
flat angles P-C4'-P energy: -63.877
tors. eta vs tors. theta energy: -131.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1554.202114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.202114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.202114 (E_RNA)
where:
Base-Base interactions energy: -1029.964
where: short stacking energy: -451.606
Base-Backbone interact. energy: 2.362
local terms energy: -526.600816
where:
bonds (distance) C4'-P energy: -96.062
bonds (distance) P-C4' energy: -124.307
flat angles C4'-P-C4' energy: -120.781
flat angles P-C4'-P energy: -90.666
tors. eta vs tors. theta energy: -94.785
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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1354.367222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.367222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.367222 (E_RNA)
where:
Base-Base interactions energy: -896.003
where: short stacking energy: -400.573
Base-Backbone interact. energy: 0.003
local terms energy: -458.367367
where:
bonds (distance) C4'-P energy: -96.299
bonds (distance) P-C4' energy: -88.195
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -75.173
tors. eta vs tors. theta energy: -81.652
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: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -1051.261173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.261173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.261173 (E_RNA)
where:
Base-Base interactions energy: -622.863
where: short stacking energy: -308.955
Base-Backbone interact. energy: 2.312
local terms energy: -430.709640
where:
bonds (distance) C4'-P energy: -134.768
bonds (distance) P-C4' energy: -118.471
flat angles C4'-P-C4' energy: -87.755
flat angles P-C4'-P energy: -63.626
tors. eta vs tors. theta energy: -26.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2590.519341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.519341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.519341 (E_RNA)
where:
Base-Base interactions energy: -1827.710
where: short stacking energy: -760.687
Base-Backbone interact. energy: -1.266
local terms energy: -761.543456
where:
bonds (distance) C4'-P energy: -144.944
bonds (distance) P-C4' energy: -138.323
flat angles C4'-P-C4' energy: -163.227
flat angles P-C4'-P energy: -101.772
tors. eta vs tors. theta energy: -213.277
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: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2475.861714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.861714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.861714 (E_RNA)
where:
Base-Base interactions energy: -1757.029
where: short stacking energy: -713.939
Base-Backbone interact. energy: -0.561
local terms energy: -718.271909
where:
bonds (distance) C4'-P energy: -134.782
bonds (distance) P-C4' energy: -141.501
flat angles C4'-P-C4' energy: -147.584
flat angles P-C4'-P energy: -97.414
tors. eta vs tors. theta energy: -196.991
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: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2417.899940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.899940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.899940 (E_RNA)
where:
Base-Base interactions energy: -1711.853
where: short stacking energy: -722.877
Base-Backbone interact. energy: -2.836
local terms energy: -703.210579
where:
bonds (distance) C4'-P energy: -131.260
bonds (distance) P-C4' energy: -139.156
flat angles C4'-P-C4' energy: -135.476
flat angles P-C4'-P energy: -92.549
tors. eta vs tors. theta energy: -204.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2346.739151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.739151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.739151 (E_RNA)
where:
Base-Base interactions energy: -1647.777
where: short stacking energy: -700.179
Base-Backbone interact. energy: 2.625
local terms energy: -701.587192
where:
bonds (distance) C4'-P energy: -121.098
bonds (distance) P-C4' energy: -137.687
flat angles C4'-P-C4' energy: -144.489
flat angles P-C4'-P energy: -102.037
tors. eta vs tors. theta energy: -196.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2164.825449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.825449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.825449 (E_RNA)
where:
Base-Base interactions energy: -1485.277
where: short stacking energy: -652.477
Base-Backbone interact. energy: -1.729
local terms energy: -677.818767
where:
bonds (distance) C4'-P energy: -123.664
bonds (distance) P-C4' energy: -134.208
flat angles C4'-P-C4' energy: -150.717
flat angles P-C4'-P energy: -81.692
tors. eta vs tors. theta energy: -187.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -2109.010345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.010345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.010345 (E_RNA)
where:
Base-Base interactions energy: -1435.278
where: short stacking energy: -633.552
Base-Backbone interact. energy: 0.406
local terms energy: -674.137771
where:
bonds (distance) C4'-P energy: -126.359
bonds (distance) P-C4' energy: -126.573
flat angles C4'-P-C4' energy: -141.681
flat angles P-C4'-P energy: -95.751
tors. eta vs tors. theta energy: -183.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1761.832895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.832895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.832895 (E_RNA)
where:
Base-Base interactions energy: -1237.030
where: short stacking energy: -515.594
Base-Backbone interact. energy: -3.652
local terms energy: -521.150378
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -125.907
flat angles C4'-P-C4' energy: -133.027
flat angles P-C4'-P energy: -53.942
tors. eta vs tors. theta energy: -117.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1556.679131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.679131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.679131 (E_RNA)
where:
Base-Base interactions energy: -1049.148
where: short stacking energy: -441.644
Base-Backbone interact. energy: -3.205
local terms energy: -504.326064
where:
bonds (distance) C4'-P energy: -104.734
bonds (distance) P-C4' energy: -104.562
flat angles C4'-P-C4' energy: -125.833
flat angles P-C4'-P energy: -83.827
tors. eta vs tors. theta energy: -85.370
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: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1320.948864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.948864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.948864 (E_RNA)
where:
Base-Base interactions energy: -859.306
where: short stacking energy: -388.116
Base-Backbone interact. energy: -0.242
local terms energy: -461.400233
where:
bonds (distance) C4'-P energy: -80.662
bonds (distance) P-C4' energy: -115.490
flat angles C4'-P-C4' energy: -120.402
flat angles P-C4'-P energy: -71.246
tors. eta vs tors. theta energy: -73.601
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: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -947.015409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.015409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.015409 (E_RNA)
where:
Base-Base interactions energy: -551.692
where: short stacking energy: -275.734
Base-Backbone interact. energy: -3.708
local terms energy: -391.616274
where:
bonds (distance) C4'-P energy: -103.633
bonds (distance) P-C4' energy: -113.156
flat angles C4'-P-C4' energy: -104.303
flat angles P-C4'-P energy: -58.762
tors. eta vs tors. theta energy: -11.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2555.431527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.431527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.431527 (E_RNA)
where:
Base-Base interactions energy: -1790.507
where: short stacking energy: -739.622
Base-Backbone interact. energy: -3.098
local terms energy: -761.826003
where:
bonds (distance) C4'-P energy: -135.923
bonds (distance) P-C4' energy: -142.077
flat angles C4'-P-C4' energy: -158.049
flat angles P-C4'-P energy: -111.081
tors. eta vs tors. theta energy: -214.696
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: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2467.964392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.964392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.964392 (E_RNA)
where:
Base-Base interactions energy: -1744.462
where: short stacking energy: -725.252
Base-Backbone interact. energy: -2.854
local terms energy: -720.648267
where:
bonds (distance) C4'-P energy: -113.941
bonds (distance) P-C4' energy: -143.747
flat angles C4'-P-C4' energy: -165.407
flat angles P-C4'-P energy: -103.717
tors. eta vs tors. theta energy: -193.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2427.311963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.311963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.311963 (E_RNA)
where:
Base-Base interactions energy: -1710.359
where: short stacking energy: -716.987
Base-Backbone interact. energy: -0.325
local terms energy: -716.628453
where:
bonds (distance) C4'-P energy: -127.155
bonds (distance) P-C4' energy: -143.480
flat angles C4'-P-C4' energy: -147.392
flat angles P-C4'-P energy: -95.858
tors. eta vs tors. theta energy: -202.743
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: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2327.886807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.886807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.886807 (E_RNA)
where:
Base-Base interactions energy: -1622.227
where: short stacking energy: -691.519
Base-Backbone interact. energy: 0.216
local terms energy: -705.876136
where:
bonds (distance) C4'-P energy: -116.296
bonds (distance) P-C4' energy: -127.743
flat angles C4'-P-C4' energy: -147.734
flat angles P-C4'-P energy: -109.269
tors. eta vs tors. theta energy: -204.834
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: 279
Temperature: 1.100000
Total energy: -2183.796969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.796969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.796969 (E_RNA)
where:
Base-Base interactions energy: -1491.021
where: short stacking energy: -665.446
Base-Backbone interact. energy: -1.665
local terms energy: -691.111009
where:
bonds (distance) C4'-P energy: -104.144
bonds (distance) P-C4' energy: -128.577
flat angles C4'-P-C4' energy: -154.205
flat angles P-C4'-P energy: -103.039
tors. eta vs tors. theta energy: -201.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -2134.340240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.340240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.340240 (E_RNA)
where:
Base-Base interactions energy: -1478.824
where: short stacking energy: -650.000
Base-Backbone interact. energy: -1.178
local terms energy: -654.338293
where:
bonds (distance) C4'-P energy: -130.686
bonds (distance) P-C4' energy: -135.865
flat angles C4'-P-C4' energy: -143.775
flat angles P-C4'-P energy: -62.661
tors. eta vs tors. theta energy: -181.351
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: 9
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1774.310140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.310140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.310140 (E_RNA)
where:
Base-Base interactions energy: -1193.844
where: short stacking energy: -526.267
Base-Backbone interact. energy: -3.076
local terms energy: -577.389359
where:
bonds (distance) C4'-P energy: -124.400
bonds (distance) P-C4' energy: -128.041
flat angles C4'-P-C4' energy: -140.565
flat angles P-C4'-P energy: -71.139
tors. eta vs tors. theta energy: -113.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1577.835821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.835821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.835821 (E_RNA)
where:
Base-Base interactions energy: -1060.969
where: short stacking energy: -484.454
Base-Backbone interact. energy: 0.964
local terms energy: -517.830597
where:
bonds (distance) C4'-P energy: -119.522
bonds (distance) P-C4' energy: -103.310
flat angles C4'-P-C4' energy: -124.628
flat angles P-C4'-P energy: -63.010
tors. eta vs tors. theta energy: -107.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1446.695523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.695523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.695523 (E_RNA)
where:
Base-Base interactions energy: -918.184
where: short stacking energy: -402.184
Base-Backbone interact. energy: -2.692
local terms energy: -525.818959
where:
bonds (distance) C4'-P energy: -126.778
bonds (distance) P-C4' energy: -115.339
flat angles C4'-P-C4' energy: -118.180
flat angles P-C4'-P energy: -89.737
tors. eta vs tors. theta energy: -75.784
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: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -959.448589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.448589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.448589 (E_RNA)
where:
Base-Base interactions energy: -575.098
where: short stacking energy: -280.532
Base-Backbone interact. energy: -0.915
local terms energy: -383.435196
where:
bonds (distance) C4'-P energy: -100.952
bonds (distance) P-C4' energy: -103.365
flat angles C4'-P-C4' energy: -113.532
flat angles P-C4'-P energy: -43.041
tors. eta vs tors. theta energy: -22.545
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: 280
Temperature: 0.900000
Total energy: -2541.522115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.522115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.522115 (E_RNA)
where:
Base-Base interactions energy: -1779.370
where: short stacking energy: -770.680
Base-Backbone interact. energy: -5.357
local terms energy: -756.795616
where:
bonds (distance) C4'-P energy: -135.160
bonds (distance) P-C4' energy: -130.849
flat angles C4'-P-C4' energy: -161.964
flat angles P-C4'-P energy: -112.629
tors. eta vs tors. theta energy: -216.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2470.379090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.379090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.379090 (E_RNA)
where:
Base-Base interactions energy: -1724.521
where: short stacking energy: -715.895
Base-Backbone interact. energy: -4.914
local terms energy: -740.944022
where:
bonds (distance) C4'-P energy: -136.842
bonds (distance) P-C4' energy: -138.561
flat angles C4'-P-C4' energy: -154.659
flat angles P-C4'-P energy: -111.421
tors. eta vs tors. theta energy: -199.461
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: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2435.883120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.883120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.883120 (E_RNA)
where:
Base-Base interactions energy: -1714.133
where: short stacking energy: -721.422
Base-Backbone interact. energy: -1.159
local terms energy: -720.591667
where:
bonds (distance) C4'-P energy: -116.430
bonds (distance) P-C4' energy: -139.785
flat angles C4'-P-C4' energy: -159.564
flat angles P-C4'-P energy: -95.974
tors. eta vs tors. theta energy: -208.838
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: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2315.644778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.644778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.644778 (E_RNA)
where:
Base-Base interactions energy: -1619.716
where: short stacking energy: -693.431
Base-Backbone interact. energy: 2.006
local terms energy: -697.934039
where:
bonds (distance) C4'-P energy: -116.923
bonds (distance) P-C4' energy: -115.233
flat angles C4'-P-C4' energy: -156.595
flat angles P-C4'-P energy: -102.994
tors. eta vs tors. theta energy: -206.189
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: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2206.408461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.408461 (E_RNA)
where:
Base-Base interactions energy: -1501.618
where: short stacking energy: -664.822
Base-Backbone interact. energy: -0.547
local terms energy: -704.244066
where:
bonds (distance) C4'-P energy: -128.586
bonds (distance) P-C4' energy: -116.761
flat angles C4'-P-C4' energy: -158.900
flat angles P-C4'-P energy: -97.122
tors. eta vs tors. theta energy: -202.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -2032.499143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.499143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.499143 (E_RNA)
where:
Base-Base interactions energy: -1405.776
where: short stacking energy: -597.783
Base-Backbone interact. energy: 4.642
local terms energy: -631.365229
where:
bonds (distance) C4'-P energy: -112.812
bonds (distance) P-C4' energy: -115.466
flat angles C4'-P-C4' energy: -139.556
flat angles P-C4'-P energy: -95.618
tors. eta vs tors. theta energy: -167.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1789.256960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.256960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.256960 (E_RNA)
where:
Base-Base interactions energy: -1222.062
where: short stacking energy: -540.000
Base-Backbone interact. energy: -2.456
local terms energy: -564.738669
where:
bonds (distance) C4'-P energy: -115.886
bonds (distance) P-C4' energy: -133.926
flat angles C4'-P-C4' energy: -119.499
flat angles P-C4'-P energy: -81.401
tors. eta vs tors. theta energy: -114.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1554.876298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.876298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.876298 (E_RNA)
where:
Base-Base interactions energy: -1031.563
where: short stacking energy: -462.377
Base-Backbone interact. energy: 1.578
local terms energy: -524.891339
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -129.747
flat angles C4'-P-C4' energy: -134.868
flat angles P-C4'-P energy: -63.145
tors. eta vs tors. theta energy: -93.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1516.196338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.196338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.196338 (E_RNA)
where:
Base-Base interactions energy: -992.035
where: short stacking energy: -438.771
Base-Backbone interact. energy: -5.510
local terms energy: -518.651311
where:
bonds (distance) C4'-P energy: -99.696
bonds (distance) P-C4' energy: -114.579
flat angles C4'-P-C4' energy: -119.237
flat angles P-C4'-P energy: -79.665
tors. eta vs tors. theta energy: -105.473
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -999.320907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.320907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.320907 (E_RNA)
where:
Base-Base interactions energy: -597.302
where: short stacking energy: -317.587
Base-Backbone interact. energy: -2.268
local terms energy: -399.751007
where:
bonds (distance) C4'-P energy: -104.696
bonds (distance) P-C4' energy: -116.520
flat angles C4'-P-C4' energy: -73.540
flat angles P-C4'-P energy: -67.128
tors. eta vs tors. theta energy: -37.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2536.369830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.369830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.369830 (E_RNA)
where:
Base-Base interactions energy: -1772.569
where: short stacking energy: -751.442
Base-Backbone interact. energy: -5.178
local terms energy: -758.622015
where:
bonds (distance) C4'-P energy: -142.700
bonds (distance) P-C4' energy: -139.821
flat angles C4'-P-C4' energy: -161.837
flat angles P-C4'-P energy: -99.264
tors. eta vs tors. theta energy: -215.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2479.494003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.494003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.494003 (E_RNA)
where:
Base-Base interactions energy: -1766.922
where: short stacking energy: -712.441
Base-Backbone interact. energy: 5.271
local terms energy: -717.842146
where:
bonds (distance) C4'-P energy: -129.005
bonds (distance) P-C4' energy: -140.769
flat angles C4'-P-C4' energy: -158.308
flat angles P-C4'-P energy: -102.539
tors. eta vs tors. theta energy: -187.221
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: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2412.136402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.136402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.136402 (E_RNA)
where:
Base-Base interactions energy: -1685.712
where: short stacking energy: -726.862
Base-Backbone interact. energy: -3.367
local terms energy: -723.057104
where:
bonds (distance) C4'-P energy: -135.292
bonds (distance) P-C4' energy: -144.832
flat angles C4'-P-C4' energy: -145.723
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -203.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2328.076337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.076337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.076337 (E_RNA)
where:
Base-Base interactions energy: -1628.537
where: short stacking energy: -687.512
Base-Backbone interact. energy: -3.099
local terms energy: -696.440449
where:
bonds (distance) C4'-P energy: -118.652
bonds (distance) P-C4' energy: -124.174
flat angles C4'-P-C4' energy: -148.828
flat angles P-C4'-P energy: -106.223
tors. eta vs tors. theta energy: -198.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2198.416314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.416314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.416314 (E_RNA)
where:
Base-Base interactions energy: -1511.611
where: short stacking energy: -676.614
Base-Backbone interact. energy: -1.689
local terms energy: -685.116038
where:
bonds (distance) C4'-P energy: -122.139
bonds (distance) P-C4' energy: -129.435
flat angles C4'-P-C4' energy: -145.608
flat angles P-C4'-P energy: -98.424
tors. eta vs tors. theta energy: -189.511
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: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -2060.649486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.649486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.649486 (E_RNA)
where:
Base-Base interactions energy: -1445.689
where: short stacking energy: -592.220
Base-Backbone interact. energy: -1.917
local terms energy: -613.043470
where:
bonds (distance) C4'-P energy: -110.831
bonds (distance) P-C4' energy: -114.042
flat angles C4'-P-C4' energy: -136.504
flat angles P-C4'-P energy: -100.953
tors. eta vs tors. theta energy: -150.713
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: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1825.576837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.576837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.576837 (E_RNA)
where:
Base-Base interactions energy: -1263.224
where: short stacking energy: -544.616
Base-Backbone interact. energy: -3.007
local terms energy: -559.346304
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -113.396
flat angles C4'-P-C4' energy: -125.483
flat angles P-C4'-P energy: -80.401
tors. eta vs tors. theta energy: -122.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1566.403847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.403847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.403847 (E_RNA)
where:
Base-Base interactions energy: -1063.200
where: short stacking energy: -455.292
Base-Backbone interact. energy: 2.951
local terms energy: -506.154392
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -111.634
flat angles C4'-P-C4' energy: -111.401
flat angles P-C4'-P energy: -78.062
tors. eta vs tors. theta energy: -98.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1313.383327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.383327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.383327 (E_RNA)
where:
Base-Base interactions energy: -846.714
where: short stacking energy: -384.821
Base-Backbone interact. energy: -1.513
local terms energy: -465.155764
where:
bonds (distance) C4'-P energy: -101.146
bonds (distance) P-C4' energy: -125.777
flat angles C4'-P-C4' energy: -106.846
flat angles P-C4'-P energy: -70.835
tors. eta vs tors. theta energy: -60.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -1059.139114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.139114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.139114 (E_RNA)
where:
Base-Base interactions energy: -602.760
where: short stacking energy: -314.977
Base-Backbone interact. energy: -1.945
local terms energy: -454.434633
where:
bonds (distance) C4'-P energy: -101.108
bonds (distance) P-C4' energy: -114.287
flat angles C4'-P-C4' energy: -110.587
flat angles P-C4'-P energy: -78.071
tors. eta vs tors. theta energy: -50.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2550.813333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.813333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.813333 (E_RNA)
where:
Base-Base interactions energy: -1804.675
where: short stacking energy: -764.123
Base-Backbone interact. energy: -4.446
local terms energy: -741.692242
where:
bonds (distance) C4'-P energy: -126.156
bonds (distance) P-C4' energy: -142.733
flat angles C4'-P-C4' energy: -151.448
flat angles P-C4'-P energy: -105.679
tors. eta vs tors. theta energy: -215.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2485.615173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.615173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.615173 (E_RNA)
where:
Base-Base interactions energy: -1732.684
where: short stacking energy: -715.769
Base-Backbone interact. energy: -6.521
local terms energy: -746.410913
where:
bonds (distance) C4'-P energy: -146.361
bonds (distance) P-C4' energy: -143.889
flat angles C4'-P-C4' energy: -156.061
flat angles P-C4'-P energy: -99.249
tors. eta vs tors. theta energy: -200.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2428.373169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.373169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.373169 (E_RNA)
where:
Base-Base interactions energy: -1698.218
where: short stacking energy: -697.891
Base-Backbone interact. energy: -0.059
local terms energy: -730.096080
where:
bonds (distance) C4'-P energy: -133.337
bonds (distance) P-C4' energy: -129.432
flat angles C4'-P-C4' energy: -150.557
flat angles P-C4'-P energy: -109.117
tors. eta vs tors. theta energy: -207.653
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: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2354.368267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.368267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.368267 (E_RNA)
where:
Base-Base interactions energy: -1636.651
where: short stacking energy: -704.148
Base-Backbone interact. energy: -2.532
local terms energy: -715.185724
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -136.682
flat angles C4'-P-C4' energy: -160.336
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -209.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2153.547717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.547717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.547717 (E_RNA)
where:
Base-Base interactions energy: -1487.734
where: short stacking energy: -639.185
Base-Backbone interact. energy: -1.761
local terms energy: -664.052423
where:
bonds (distance) C4'-P energy: -128.132
bonds (distance) P-C4' energy: -118.690
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -97.665
tors. eta vs tors. theta energy: -186.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -2042.150197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.150197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.150197 (E_RNA)
where:
Base-Base interactions energy: -1397.171
where: short stacking energy: -625.345
Base-Backbone interact. energy: -2.075
local terms energy: -642.904346
where:
bonds (distance) C4'-P energy: -109.013
bonds (distance) P-C4' energy: -125.444
flat angles C4'-P-C4' energy: -139.672
flat angles P-C4'-P energy: -101.424
tors. eta vs tors. theta energy: -167.351
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: 9
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1788.999351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.999351 (E_RNA)
where:
Base-Base interactions energy: -1259.557
where: short stacking energy: -535.481
Base-Backbone interact. energy: 3.546
local terms energy: -532.987968
where:
bonds (distance) C4'-P energy: -93.398
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -128.421
flat angles P-C4'-P energy: -72.642
tors. eta vs tors. theta energy: -124.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1574.025923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.025923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.025923 (E_RNA)
where:
Base-Base interactions energy: -1065.517
where: short stacking energy: -442.204
Base-Backbone interact. energy: -0.914
local terms energy: -507.595121
where:
bonds (distance) C4'-P energy: -104.883
bonds (distance) P-C4' energy: -109.240
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -75.194
tors. eta vs tors. theta energy: -94.123
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: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1338.149092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.149092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.149092 (E_RNA)
where:
Base-Base interactions energy: -899.485
where: short stacking energy: -417.798
Base-Backbone interact. energy: 0.264
local terms energy: -438.928242
where:
bonds (distance) C4'-P energy: -92.089
bonds (distance) P-C4' energy: -97.084
flat angles C4'-P-C4' energy: -96.200
flat angles P-C4'-P energy: -81.324
tors. eta vs tors. theta energy: -72.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -1012.382608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.382608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.382608 (E_RNA)
where:
Base-Base interactions energy: -632.112
where: short stacking energy: -326.202
Base-Backbone interact. energy: -1.549
local terms energy: -378.721225
where:
bonds (distance) C4'-P energy: -89.275
bonds (distance) P-C4' energy: -95.766
flat angles C4'-P-C4' energy: -97.327
flat angles P-C4'-P energy: -62.448
tors. eta vs tors. theta energy: -33.905
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: 283
Temperature: 0.900000
Total energy: -2552.549674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.549674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.549674 (E_RNA)
where:
Base-Base interactions energy: -1815.111
where: short stacking energy: -770.038
Base-Backbone interact. energy: -4.254
local terms energy: -733.184788
where:
bonds (distance) C4'-P energy: -138.660
bonds (distance) P-C4' energy: -124.432
flat angles C4'-P-C4' energy: -150.823
flat angles P-C4'-P energy: -102.480
tors. eta vs tors. theta energy: -216.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2505.274326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.274326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.274326 (E_RNA)
where:
Base-Base interactions energy: -1761.801
where: short stacking energy: -743.587
Base-Backbone interact. energy: -0.147
local terms energy: -743.326845
where:
bonds (distance) C4'-P energy: -145.475
bonds (distance) P-C4' energy: -127.747
flat angles C4'-P-C4' energy: -161.626
flat angles P-C4'-P energy: -107.669
tors. eta vs tors. theta energy: -200.810
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: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2405.782851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.782851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.782851 (E_RNA)
where:
Base-Base interactions energy: -1668.282
where: short stacking energy: -710.041
Base-Backbone interact. energy: -1.164
local terms energy: -736.336995
where:
bonds (distance) C4'-P energy: -133.565
bonds (distance) P-C4' energy: -138.939
flat angles C4'-P-C4' energy: -157.688
flat angles P-C4'-P energy: -111.415
tors. eta vs tors. theta energy: -194.730
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: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2343.363414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.363414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.363414 (E_RNA)
where:
Base-Base interactions energy: -1633.738
where: short stacking energy: -700.928
Base-Backbone interact. energy: -2.512
local terms energy: -707.113472
where:
bonds (distance) C4'-P energy: -137.865
bonds (distance) P-C4' energy: -126.877
flat angles C4'-P-C4' energy: -158.626
flat angles P-C4'-P energy: -88.192
tors. eta vs tors. theta energy: -195.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2154.852099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.852099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.852099 (E_RNA)
where:
Base-Base interactions energy: -1487.731
where: short stacking energy: -643.172
Base-Backbone interact. energy: -0.263
local terms energy: -666.858059
where:
bonds (distance) C4'-P energy: -125.111
bonds (distance) P-C4' energy: -125.603
flat angles C4'-P-C4' energy: -151.296
flat angles P-C4'-P energy: -88.290
tors. eta vs tors. theta energy: -176.558
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: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -2039.199828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.199828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.199828 (E_RNA)
where:
Base-Base interactions energy: -1418.455
where: short stacking energy: -596.349
Base-Backbone interact. energy: -1.720
local terms energy: -619.024373
where:
bonds (distance) C4'-P energy: -104.158
bonds (distance) P-C4' energy: -125.978
flat angles C4'-P-C4' energy: -142.336
flat angles P-C4'-P energy: -82.797
tors. eta vs tors. theta energy: -163.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1839.760515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.760515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.760515 (E_RNA)
where:
Base-Base interactions energy: -1285.812
where: short stacking energy: -551.572
Base-Backbone interact. energy: 1.091
local terms energy: -555.040055
where:
bonds (distance) C4'-P energy: -90.884
bonds (distance) P-C4' energy: -117.292
flat angles C4'-P-C4' energy: -135.377
flat angles P-C4'-P energy: -83.317
tors. eta vs tors. theta energy: -128.169
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: 1
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1565.063911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.063911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.063911 (E_RNA)
where:
Base-Base interactions energy: -1063.290
where: short stacking energy: -465.039
Base-Backbone interact. energy: 0.108
local terms energy: -501.881679
where:
bonds (distance) C4'-P energy: -122.060
bonds (distance) P-C4' energy: -113.843
flat angles C4'-P-C4' energy: -101.561
flat angles P-C4'-P energy: -68.740
tors. eta vs tors. theta energy: -95.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1344.789418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.789418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.789418 (E_RNA)
where:
Base-Base interactions energy: -871.133
where: short stacking energy: -384.369
Base-Backbone interact. energy: -3.933
local terms energy: -469.723414
where:
bonds (distance) C4'-P energy: -103.719
bonds (distance) P-C4' energy: -104.354
flat angles C4'-P-C4' energy: -97.261
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -84.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -933.955827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.955827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.955827 (E_RNA)
where:
Base-Base interactions energy: -526.983
where: short stacking energy: -277.597
Base-Backbone interact. energy: 3.660
local terms energy: -410.632467
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -116.548
flat angles C4'-P-C4' energy: -98.227
flat angles P-C4'-P energy: -63.422
tors. eta vs tors. theta energy: -22.907
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: 284
Temperature: 0.900000
Total energy: -2564.817844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.817844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.817844 (E_RNA)
where:
Base-Base interactions energy: -1793.909
where: short stacking energy: -763.620
Base-Backbone interact. energy: -5.456
local terms energy: -765.453001
where:
bonds (distance) C4'-P energy: -143.165
bonds (distance) P-C4' energy: -143.866
flat angles C4'-P-C4' energy: -154.886
flat angles P-C4'-P energy: -96.519
tors. eta vs tors. theta energy: -227.017
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: 7
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2476.312757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.312757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.312757 (E_RNA)
where:
Base-Base interactions energy: -1761.642
where: short stacking energy: -718.497
Base-Backbone interact. energy: 1.471
local terms energy: -716.141024
where:
bonds (distance) C4'-P energy: -129.056
bonds (distance) P-C4' energy: -126.958
flat angles C4'-P-C4' energy: -162.518
flat angles P-C4'-P energy: -92.326
tors. eta vs tors. theta energy: -205.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2451.068182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.068182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.068182 (E_RNA)
where:
Base-Base interactions energy: -1734.406
where: short stacking energy: -724.117
Base-Backbone interact. energy: -5.005
local terms energy: -711.657318
where:
bonds (distance) C4'-P energy: -127.744
bonds (distance) P-C4' energy: -134.953
flat angles C4'-P-C4' energy: -149.114
flat angles P-C4'-P energy: -107.750
tors. eta vs tors. theta energy: -192.096
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: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2317.799572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.799572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.799572 (E_RNA)
where:
Base-Base interactions energy: -1639.876
where: short stacking energy: -720.921
Base-Backbone interact. energy: -2.281
local terms energy: -675.642357
where:
bonds (distance) C4'-P energy: -124.157
bonds (distance) P-C4' energy: -114.407
flat angles C4'-P-C4' energy: -140.009
flat angles P-C4'-P energy: -94.297
tors. eta vs tors. theta energy: -202.772
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: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2173.826447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.826447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.826447 (E_RNA)
where:
Base-Base interactions energy: -1511.997
where: short stacking energy: -668.712
Base-Backbone interact. energy: 0.097
local terms energy: -661.927226
where:
bonds (distance) C4'-P energy: -105.084
bonds (distance) P-C4' energy: -135.215
flat angles C4'-P-C4' energy: -145.427
flat angles P-C4'-P energy: -93.251
tors. eta vs tors. theta energy: -182.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -2026.174889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.174889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.174889 (E_RNA)
where:
Base-Base interactions energy: -1373.498
where: short stacking energy: -596.061
Base-Backbone interact. energy: -2.395
local terms energy: -650.282097
where:
bonds (distance) C4'-P energy: -125.019
bonds (distance) P-C4' energy: -129.233
flat angles C4'-P-C4' energy: -132.914
flat angles P-C4'-P energy: -94.630
tors. eta vs tors. theta energy: -168.486
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: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1756.723230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.723230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.723230 (E_RNA)
where:
Base-Base interactions energy: -1240.189
where: short stacking energy: -503.133
Base-Backbone interact. energy: -0.080
local terms energy: -516.454995
where:
bonds (distance) C4'-P energy: -109.275
bonds (distance) P-C4' energy: -109.134
flat angles C4'-P-C4' energy: -124.823
flat angles P-C4'-P energy: -65.558
tors. eta vs tors. theta energy: -107.665
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: 8, replica: 1
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1614.231728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.231728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.231728 (E_RNA)
where:
Base-Base interactions energy: -1060.224
where: short stacking energy: -488.022
Base-Backbone interact. energy: -6.229
local terms energy: -547.777812
where:
bonds (distance) C4'-P energy: -121.923
bonds (distance) P-C4' energy: -103.346
flat angles C4'-P-C4' energy: -132.849
flat angles P-C4'-P energy: -80.936
tors. eta vs tors. theta energy: -108.724
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: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1279.939410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.939410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.939410 (E_RNA)
where:
Base-Base interactions energy: -812.594
where: short stacking energy: -352.706
Base-Backbone interact. energy: 3.002
local terms energy: -470.346564
where:
bonds (distance) C4'-P energy: -109.817
bonds (distance) P-C4' energy: -121.287
flat angles C4'-P-C4' energy: -118.216
flat angles P-C4'-P energy: -69.174
tors. eta vs tors. theta energy: -51.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -988.966778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.966778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.966778 (E_RNA)
where:
Base-Base interactions energy: -597.813
where: short stacking energy: -300.745
Base-Backbone interact. energy: 1.860
local terms energy: -393.014145
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -104.174
flat angles C4'-P-C4' energy: -105.586
flat angles P-C4'-P energy: -47.663
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2573.000910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.000910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.000910 (E_RNA)
where:
Base-Base interactions energy: -1814.626
where: short stacking energy: -769.190
Base-Backbone interact. energy: 1.804
local terms energy: -760.178858
where:
bonds (distance) C4'-P energy: -125.857
bonds (distance) P-C4' energy: -138.628
flat angles C4'-P-C4' energy: -158.254
flat angles P-C4'-P energy: -107.873
tors. eta vs tors. theta energy: -229.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2486.108410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.108410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.108410 (E_RNA)
where:
Base-Base interactions energy: -1762.368
where: short stacking energy: -741.612
Base-Backbone interact. energy: 6.033
local terms energy: -729.773728
where:
bonds (distance) C4'-P energy: -140.849
bonds (distance) P-C4' energy: -134.137
flat angles C4'-P-C4' energy: -152.412
flat angles P-C4'-P energy: -101.838
tors. eta vs tors. theta energy: -200.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2441.503036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.503036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.503036 (E_RNA)
where:
Base-Base interactions energy: -1733.439
where: short stacking energy: -729.856
Base-Backbone interact. energy: -4.621
local terms energy: -703.442894
where:
bonds (distance) C4'-P energy: -117.832
bonds (distance) P-C4' energy: -139.701
flat angles C4'-P-C4' energy: -147.153
flat angles P-C4'-P energy: -98.811
tors. eta vs tors. theta energy: -199.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2308.865862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.865862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.865862 (E_RNA)
where:
Base-Base interactions energy: -1622.958
where: short stacking energy: -713.366
Base-Backbone interact. energy: -0.901
local terms energy: -685.006606
where:
bonds (distance) C4'-P energy: -132.351
bonds (distance) P-C4' energy: -122.057
flat angles C4'-P-C4' energy: -139.161
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -195.767
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: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2163.657115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.657115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.657115 (E_RNA)
where:
Base-Base interactions energy: -1505.239
where: short stacking energy: -660.233
Base-Backbone interact. energy: -1.818
local terms energy: -656.600530
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -124.497
flat angles C4'-P-C4' energy: -140.285
flat angles P-C4'-P energy: -74.582
tors. eta vs tors. theta energy: -187.418
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: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -2053.081783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.081783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.081783 (E_RNA)
where:
Base-Base interactions energy: -1389.427
where: short stacking energy: -607.720
Base-Backbone interact. energy: -4.135
local terms energy: -659.519734
where:
bonds (distance) C4'-P energy: -125.365
bonds (distance) P-C4' energy: -130.263
flat angles C4'-P-C4' energy: -140.103
flat angles P-C4'-P energy: -97.119
tors. eta vs tors. theta energy: -166.670
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: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1723.127816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.127816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.127816 (E_RNA)
where:
Base-Base interactions energy: -1188.201
where: short stacking energy: -504.686
Base-Backbone interact. energy: -1.314
local terms energy: -533.612839
where:
bonds (distance) C4'-P energy: -117.027
bonds (distance) P-C4' energy: -89.146
flat angles C4'-P-C4' energy: -116.902
flat angles P-C4'-P energy: -89.888
tors. eta vs tors. theta energy: -120.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1531.821454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.821454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.821454 (E_RNA)
where:
Base-Base interactions energy: -999.528
where: short stacking energy: -432.526
Base-Backbone interact. energy: -0.085
local terms energy: -532.208355
where:
bonds (distance) C4'-P energy: -123.857
bonds (distance) P-C4' energy: -132.406
flat angles C4'-P-C4' energy: -117.797
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -100.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1252.469775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.469775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.469775 (E_RNA)
where:
Base-Base interactions energy: -800.329
where: short stacking energy: -343.756
Base-Backbone interact. energy: 1.721
local terms energy: -453.861873
where:
bonds (distance) C4'-P energy: -106.371
bonds (distance) P-C4' energy: -134.725
flat angles C4'-P-C4' energy: -107.737
flat angles P-C4'-P energy: -62.635
tors. eta vs tors. theta energy: -42.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -953.852221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.852221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.852221 (E_RNA)
where:
Base-Base interactions energy: -564.629
where: short stacking energy: -308.867
Base-Backbone interact. energy: 0.742
local terms energy: -389.965659
where:
bonds (distance) C4'-P energy: -111.397
bonds (distance) P-C4' energy: -93.505
flat angles C4'-P-C4' energy: -98.317
flat angles P-C4'-P energy: -54.887
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2562.906937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.906937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.906937 (E_RNA)
where:
Base-Base interactions energy: -1811.949
where: short stacking energy: -748.424
Base-Backbone interact. energy: -2.572
local terms energy: -748.385139
where:
bonds (distance) C4'-P energy: -133.269
bonds (distance) P-C4' energy: -135.138
flat angles C4'-P-C4' energy: -161.295
flat angles P-C4'-P energy: -101.502
tors. eta vs tors. theta energy: -217.182
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2518.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.017365 (E_RNA)
where:
Base-Base interactions energy: -1766.148
where: short stacking energy: -707.446
Base-Backbone interact. energy: -2.079
local terms energy: -749.791050
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -144.674
flat angles C4'-P-C4' energy: -155.356
flat angles P-C4'-P energy: -113.031
tors. eta vs tors. theta energy: -209.135
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: 286
Temperature: 1.000000
Total energy: -2440.414304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.414304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.414304 (E_RNA)
where:
Base-Base interactions energy: -1706.654
where: short stacking energy: -738.449
Base-Backbone interact. energy: -2.431
local terms energy: -731.328814
where:
bonds (distance) C4'-P energy: -131.197
bonds (distance) P-C4' energy: -133.314
flat angles C4'-P-C4' energy: -155.628
flat angles P-C4'-P energy: -103.583
tors. eta vs tors. theta energy: -207.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -2311.699614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.699614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.699614 (E_RNA)
where:
Base-Base interactions energy: -1611.143
where: short stacking energy: -694.227
Base-Backbone interact. energy: -3.738
local terms energy: -696.818074
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -133.241
flat angles C4'-P-C4' energy: -151.194
flat angles P-C4'-P energy: -103.559
tors. eta vs tors. theta energy: -199.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2128.627311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.627311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.627311 (E_RNA)
where:
Base-Base interactions energy: -1462.752
where: short stacking energy: -662.813
Base-Backbone interact. energy: -0.352
local terms energy: -665.523418
where:
bonds (distance) C4'-P energy: -112.173
bonds (distance) P-C4' energy: -121.878
flat angles C4'-P-C4' energy: -148.576
flat angles P-C4'-P energy: -88.409
tors. eta vs tors. theta energy: -194.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -2036.359712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.359712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.359712 (E_RNA)
where:
Base-Base interactions energy: -1423.954
where: short stacking energy: -618.418
Base-Backbone interact. energy: 1.365
local terms energy: -613.771359
where:
bonds (distance) C4'-P energy: -109.704
bonds (distance) P-C4' energy: -127.899
flat angles C4'-P-C4' energy: -128.743
flat angles P-C4'-P energy: -75.888
tors. eta vs tors. theta energy: -171.538
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: 7, replica: 9
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1730.736713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.736713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.736713 (E_RNA)
where:
Base-Base interactions energy: -1192.979
where: short stacking energy: -503.367
Base-Backbone interact. energy: -4.007
local terms energy: -533.751236
where:
bonds (distance) C4'-P energy: -108.461
bonds (distance) P-C4' energy: -110.021
flat angles C4'-P-C4' energy: -124.580
flat angles P-C4'-P energy: -84.287
tors. eta vs tors. theta energy: -106.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1546.514898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.514898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.514898 (E_RNA)
where:
Base-Base interactions energy: -1043.651
where: short stacking energy: -455.521
Base-Backbone interact. energy: -1.008
local terms energy: -501.855062
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -116.382
flat angles C4'-P-C4' energy: -117.358
flat angles P-C4'-P energy: -65.117
tors. eta vs tors. theta energy: -92.763
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: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1253.727377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.727377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.727377 (E_RNA)
where:
Base-Base interactions energy: -818.017
where: short stacking energy: -365.375
Base-Backbone interact. energy: 5.440
local terms energy: -441.150916
where:
bonds (distance) C4'-P energy: -103.876
bonds (distance) P-C4' energy: -106.661
flat angles C4'-P-C4' energy: -111.804
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -48.530
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: 10, replica: 8
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -953.532066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.532066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.532066 (E_RNA)
where:
Base-Base interactions energy: -564.138
where: short stacking energy: -274.564
Base-Backbone interact. energy: 1.512
local terms energy: -390.906322
where:
bonds (distance) C4'-P energy: -103.457
bonds (distance) P-C4' energy: -109.892
flat angles C4'-P-C4' energy: -118.582
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -22.948
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: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2554.923318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.923318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.923318 (E_RNA)
where:
Base-Base interactions energy: -1796.913
where: short stacking energy: -724.396
Base-Backbone interact. energy: -1.877
local terms energy: -756.133386
where:
bonds (distance) C4'-P energy: -130.779
bonds (distance) P-C4' energy: -146.178
flat angles C4'-P-C4' energy: -157.563
flat angles P-C4'-P energy: -93.907
tors. eta vs tors. theta energy: -227.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2457.791585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.791585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.791585 (E_RNA)
where:
Base-Base interactions energy: -1720.762
where: short stacking energy: -737.676
Base-Backbone interact. energy: -4.754
local terms energy: -732.275345
where:
bonds (distance) C4'-P energy: -138.576
bonds (distance) P-C4' energy: -128.872
flat angles C4'-P-C4' energy: -152.555
flat angles P-C4'-P energy: -108.602
tors. eta vs tors. theta energy: -203.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2479.926755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.926755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.926755 (E_RNA)
where:
Base-Base interactions energy: -1770.530
where: short stacking energy: -722.004
Base-Backbone interact. energy: 1.674
local terms energy: -711.070874
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -129.718
flat angles C4'-P-C4' energy: -148.694
flat angles P-C4'-P energy: -101.764
tors. eta vs tors. theta energy: -205.185
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: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2326.272014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.272014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.272014 (E_RNA)
where:
Base-Base interactions energy: -1605.249
where: short stacking energy: -703.303
Base-Backbone interact. energy: -1.132
local terms energy: -719.890876
where:
bonds (distance) C4'-P energy: -123.578
bonds (distance) P-C4' energy: -129.813
flat angles C4'-P-C4' energy: -154.222
flat angles P-C4'-P energy: -113.190
tors. eta vs tors. theta energy: -199.088
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: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2155.505604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.505604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.505604 (E_RNA)
where:
Base-Base interactions energy: -1478.902
where: short stacking energy: -648.503
Base-Backbone interact. energy: -0.164
local terms energy: -676.439307
where:
bonds (distance) C4'-P energy: -111.004
bonds (distance) P-C4' energy: -140.692
flat angles C4'-P-C4' energy: -145.551
flat angles P-C4'-P energy: -97.641
tors. eta vs tors. theta energy: -181.552
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: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -2044.100178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.100178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.100178 (E_RNA)
where:
Base-Base interactions energy: -1400.014
where: short stacking energy: -586.848
Base-Backbone interact. energy: 0.102
local terms energy: -644.189076
where:
bonds (distance) C4'-P energy: -122.081
bonds (distance) P-C4' energy: -115.799
flat angles C4'-P-C4' energy: -148.835
flat angles P-C4'-P energy: -96.669
tors. eta vs tors. theta energy: -160.806
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: 9
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1825.780890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.780890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.780890 (E_RNA)
where:
Base-Base interactions energy: -1235.333
where: short stacking energy: -526.003
Base-Backbone interact. energy: -2.482
local terms energy: -587.966151
where:
bonds (distance) C4'-P energy: -123.698
bonds (distance) P-C4' energy: -134.045
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -88.786
tors. eta vs tors. theta energy: -110.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1541.699273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.699273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.699273 (E_RNA)
where:
Base-Base interactions energy: -1047.868
where: short stacking energy: -455.467
Base-Backbone interact. energy: -2.658
local terms energy: -491.174192
where:
bonds (distance) C4'-P energy: -116.810
bonds (distance) P-C4' energy: -107.546
flat angles C4'-P-C4' energy: -118.339
flat angles P-C4'-P energy: -75.272
tors. eta vs tors. theta energy: -73.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1276.377378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.377378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.377378 (E_RNA)
where:
Base-Base interactions energy: -808.868
where: short stacking energy: -395.324
Base-Backbone interact. energy: -2.628
local terms energy: -464.881572
where:
bonds (distance) C4'-P energy: -110.607
bonds (distance) P-C4' energy: -104.462
flat angles C4'-P-C4' energy: -115.055
flat angles P-C4'-P energy: -76.799
tors. eta vs tors. theta energy: -57.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -890.963785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.963785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.963785 (E_RNA)
where:
Base-Base interactions energy: -510.140
where: short stacking energy: -261.732
Base-Backbone interact. energy: 2.392
local terms energy: -383.215428
where:
bonds (distance) C4'-P energy: -109.253
bonds (distance) P-C4' energy: -106.814
flat angles C4'-P-C4' energy: -101.507
flat angles P-C4'-P energy: -61.204
tors. eta vs tors. theta energy: -4.437
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: 288
Temperature: 0.900000
Total energy: -2562.046581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.046581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.046581 (E_RNA)
where:
Base-Base interactions energy: -1791.905
where: short stacking energy: -752.379
Base-Backbone interact. energy: -3.716
local terms energy: -766.425750
where:
bonds (distance) C4'-P energy: -153.155
bonds (distance) P-C4' energy: -143.812
flat angles C4'-P-C4' energy: -148.582
flat angles P-C4'-P energy: -96.649
tors. eta vs tors. theta energy: -224.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2511.016790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.016790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.016790 (E_RNA)
where:
Base-Base interactions energy: -1775.653
where: short stacking energy: -743.277
Base-Backbone interact. energy: -0.370
local terms energy: -734.993571
where:
bonds (distance) C4'-P energy: -148.286
bonds (distance) P-C4' energy: -131.153
flat angles C4'-P-C4' energy: -146.410
flat angles P-C4'-P energy: -104.788
tors. eta vs tors. theta energy: -204.356
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: 7
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2440.817194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.817194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.817194 (E_RNA)
where:
Base-Base interactions energy: -1720.132
where: short stacking energy: -722.259
Base-Backbone interact. energy: -0.350
local terms energy: -720.335316
where:
bonds (distance) C4'-P energy: -122.913
bonds (distance) P-C4' energy: -142.518
flat angles C4'-P-C4' energy: -153.611
flat angles P-C4'-P energy: -100.095
tors. eta vs tors. theta energy: -201.198
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: 5
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2300.160777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.160777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.160777 (E_RNA)
where:
Base-Base interactions energy: -1604.283
where: short stacking energy: -709.335
Base-Backbone interact. energy: -1.555
local terms energy: -694.323507
where:
bonds (distance) C4'-P energy: -128.469
bonds (distance) P-C4' energy: -125.659
flat angles C4'-P-C4' energy: -144.708
flat angles P-C4'-P energy: -94.465
tors. eta vs tors. theta energy: -201.021
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: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2161.723570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.723570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.723570 (E_RNA)
where:
Base-Base interactions energy: -1486.394
where: short stacking energy: -653.842
Base-Backbone interact. energy: -3.204
local terms energy: -672.126051
where:
bonds (distance) C4'-P energy: -117.467
bonds (distance) P-C4' energy: -133.662
flat angles C4'-P-C4' energy: -151.545
flat angles P-C4'-P energy: -83.922
tors. eta vs tors. theta energy: -185.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -2003.899125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.899125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.899125 (E_RNA)
where:
Base-Base interactions energy: -1364.697
where: short stacking energy: -580.809
Base-Backbone interact. energy: -1.790
local terms energy: -637.413061
where:
bonds (distance) C4'-P energy: -130.960
bonds (distance) P-C4' energy: -130.027
flat angles C4'-P-C4' energy: -134.801
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -156.578
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: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1811.749307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.749307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.749307 (E_RNA)
where:
Base-Base interactions energy: -1256.690
where: short stacking energy: -541.275
Base-Backbone interact. energy: -4.706
local terms energy: -550.352743
where:
bonds (distance) C4'-P energy: -112.325
bonds (distance) P-C4' energy: -123.674
flat angles C4'-P-C4' energy: -130.475
flat angles P-C4'-P energy: -65.875
tors. eta vs tors. theta energy: -118.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1544.092266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.092266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.092266 (E_RNA)
where:
Base-Base interactions energy: -1017.469
where: short stacking energy: -438.121
Base-Backbone interact. energy: -2.713
local terms energy: -523.909937
where:
bonds (distance) C4'-P energy: -120.899
bonds (distance) P-C4' energy: -106.562
flat angles C4'-P-C4' energy: -131.445
flat angles P-C4'-P energy: -71.042
tors. eta vs tors. theta energy: -93.963
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: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1226.780319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.780319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.780319 (E_RNA)
where:
Base-Base interactions energy: -770.413
where: short stacking energy: -336.126
Base-Backbone interact. energy: 0.059
local terms energy: -456.426358
where:
bonds (distance) C4'-P energy: -111.705
bonds (distance) P-C4' energy: -122.185
flat angles C4'-P-C4' energy: -117.985
flat angles P-C4'-P energy: -54.249
tors. eta vs tors. theta energy: -50.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -902.479865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.479865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.479865 (E_RNA)
where:
Base-Base interactions energy: -539.973
where: short stacking energy: -257.519
Base-Backbone interact. energy: 3.928
local terms energy: -366.434172
where:
bonds (distance) C4'-P energy: -100.442
bonds (distance) P-C4' energy: -127.914
flat angles C4'-P-C4' energy: -88.423
flat angles P-C4'-P energy: -55.654
tors. eta vs tors. theta energy: 5.998
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2563.510037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.510037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.510037 (E_RNA)
where:
Base-Base interactions energy: -1804.177
where: short stacking energy: -779.269
Base-Backbone interact. energy: 1.344
local terms energy: -760.676726
where:
bonds (distance) C4'-P energy: -128.396
bonds (distance) P-C4' energy: -140.879
flat angles C4'-P-C4' energy: -157.017
flat angles P-C4'-P energy: -105.916
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: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2518.775146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.775146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.775146 (E_RNA)
where:
Base-Base interactions energy: -1782.867
where: short stacking energy: -739.407
Base-Backbone interact. energy: -2.978
local terms energy: -732.929682
where:
bonds (distance) C4'-P energy: -129.318
bonds (distance) P-C4' energy: -131.394
flat angles C4'-P-C4' energy: -151.744
flat angles P-C4'-P energy: -110.122
tors. eta vs tors. theta energy: -210.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2466.723064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.723064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.723064 (E_RNA)
where:
Base-Base interactions energy: -1751.116
where: short stacking energy: -744.374
Base-Backbone interact. energy: 3.648
local terms energy: -719.255091
where:
bonds (distance) C4'-P energy: -140.437
bonds (distance) P-C4' energy: -121.539
flat angles C4'-P-C4' energy: -159.739
flat angles P-C4'-P energy: -96.176
tors. eta vs tors. theta energy: -201.364
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: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2307.213889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.213889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.213889 (E_RNA)
where:
Base-Base interactions energy: -1598.080
where: short stacking energy: -717.119
Base-Backbone interact. energy: -1.314
local terms energy: -707.819206
where:
bonds (distance) C4'-P energy: -124.209
bonds (distance) P-C4' energy: -142.018
flat angles C4'-P-C4' energy: -152.240
flat angles P-C4'-P energy: -87.055
tors. eta vs tors. theta energy: -202.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2139.836784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.836784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.836784 (E_RNA)
where:
Base-Base interactions energy: -1483.055
where: short stacking energy: -660.039
Base-Backbone interact. energy: -0.797
local terms energy: -655.984812
where:
bonds (distance) C4'-P energy: -106.996
bonds (distance) P-C4' energy: -131.617
flat angles C4'-P-C4' energy: -139.229
flat angles P-C4'-P energy: -94.701
tors. eta vs tors. theta energy: -183.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -2020.688512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.688512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.688512 (E_RNA)
where:
Base-Base interactions energy: -1388.123
where: short stacking energy: -615.198
Base-Backbone interact. energy: -1.672
local terms energy: -630.892818
where:
bonds (distance) C4'-P energy: -115.634
bonds (distance) P-C4' energy: -118.437
flat angles C4'-P-C4' energy: -134.987
flat angles P-C4'-P energy: -92.154
tors. eta vs tors. theta energy: -169.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1830.301574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.301574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.301574 (E_RNA)
where:
Base-Base interactions energy: -1253.484
where: short stacking energy: -542.715
Base-Backbone interact. energy: 1.048
local terms energy: -577.865324
where:
bonds (distance) C4'-P energy: -119.537
bonds (distance) P-C4' energy: -128.774
flat angles C4'-P-C4' energy: -132.437
flat angles P-C4'-P energy: -78.812
tors. eta vs tors. theta energy: -118.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1548.076270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.076270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.076270 (E_RNA)
where:
Base-Base interactions energy: -1060.257
where: short stacking energy: -449.614
Base-Backbone interact. energy: 1.332
local terms energy: -489.151380
where:
bonds (distance) C4'-P energy: -105.581
bonds (distance) P-C4' energy: -107.336
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -74.526
tors. eta vs tors. theta energy: -89.630
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1296.036045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.036045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.036045 (E_RNA)
where:
Base-Base interactions energy: -832.585
where: short stacking energy: -375.380
Base-Backbone interact. energy: 2.202
local terms energy: -465.653288
where:
bonds (distance) C4'-P energy: -86.312
bonds (distance) P-C4' energy: -112.848
flat angles C4'-P-C4' energy: -128.657
flat angles P-C4'-P energy: -83.301
tors. eta vs tors. theta energy: -54.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -1003.182371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.182371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.182371 (E_RNA)
where:
Base-Base interactions energy: -577.642
where: short stacking energy: -282.303
Base-Backbone interact. energy: -1.143
local terms energy: -424.397647
where:
bonds (distance) C4'-P energy: -124.579
bonds (distance) P-C4' energy: -100.403
flat angles C4'-P-C4' energy: -114.284
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -42.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2566.542769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.542769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.542769 (E_RNA)
where:
Base-Base interactions energy: -1818.651
where: short stacking energy: -756.876
Base-Backbone interact. energy: 4.373
local terms energy: -752.264478
where:
bonds (distance) C4'-P energy: -130.376
bonds (distance) P-C4' energy: -149.370
flat angles C4'-P-C4' energy: -159.183
flat angles P-C4'-P energy: -90.504
tors. eta vs tors. theta energy: -222.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2492.311603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.311603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.311603 (E_RNA)
where:
Base-Base interactions energy: -1747.234
where: short stacking energy: -748.471
Base-Backbone interact. energy: -1.456
local terms energy: -743.621093
where:
bonds (distance) C4'-P energy: -129.883
bonds (distance) P-C4' energy: -127.776
flat angles C4'-P-C4' energy: -162.706
flat angles P-C4'-P energy: -108.036
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: 3, replica: 7
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -2448.652683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.652683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.652683 (E_RNA)
where:
Base-Base interactions energy: -1748.110
where: short stacking energy: -724.048
Base-Backbone interact. energy: -1.545
local terms energy: -698.997147
where:
bonds (distance) C4'-P energy: -136.897
bonds (distance) P-C4' energy: -129.447
flat angles C4'-P-C4' energy: -147.958
flat angles P-C4'-P energy: -89.983
tors. eta vs tors. theta energy: -194.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2359.878238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.878238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.878238 (E_RNA)
where:
Base-Base interactions energy: -1651.172
where: short stacking energy: -739.144
Base-Backbone interact. energy: -2.070
local terms energy: -706.635786
where:
bonds (distance) C4'-P energy: -124.702
bonds (distance) P-C4' energy: -124.747
flat angles C4'-P-C4' energy: -144.440
flat angles P-C4'-P energy: -112.918
tors. eta vs tors. theta energy: -199.829
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2123.278382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.278382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.278382 (E_RNA)
where:
Base-Base interactions energy: -1464.468
where: short stacking energy: -635.037
Base-Backbone interact. energy: -2.549
local terms energy: -656.261664
where:
bonds (distance) C4'-P energy: -118.811
bonds (distance) P-C4' energy: -126.816
flat angles C4'-P-C4' energy: -144.555
flat angles P-C4'-P energy: -88.305
tors. eta vs tors. theta energy: -177.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -2015.601732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.601732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.601732 (E_RNA)
where:
Base-Base interactions energy: -1376.523
where: short stacking energy: -605.881
Base-Backbone interact. energy: -1.816
local terms energy: -637.262613
where:
bonds (distance) C4'-P energy: -117.123
bonds (distance) P-C4' energy: -124.077
flat angles C4'-P-C4' energy: -139.166
flat angles P-C4'-P energy: -95.330
tors. eta vs tors. theta energy: -161.568
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: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1855.397195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.397195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.397195 (E_RNA)
where:
Base-Base interactions energy: -1294.729
where: short stacking energy: -532.984
Base-Backbone interact. energy: -0.216
local terms energy: -560.452807
where:
bonds (distance) C4'-P energy: -126.875
bonds (distance) P-C4' energy: -113.362
flat angles C4'-P-C4' energy: -133.462
flat angles P-C4'-P energy: -71.673
tors. eta vs tors. theta energy: -115.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1586.256982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.256982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.256982 (E_RNA)
where:
Base-Base interactions energy: -1043.038
where: short stacking energy: -460.456
Base-Backbone interact. energy: 0.488
local terms energy: -543.706311
where:
bonds (distance) C4'-P energy: -100.415
bonds (distance) P-C4' energy: -138.139
flat angles C4'-P-C4' energy: -120.754
flat angles P-C4'-P energy: -74.617
tors. eta vs tors. theta energy: -109.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1289.026145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.026145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.026145 (E_RNA)
where:
Base-Base interactions energy: -863.062
where: short stacking energy: -389.021
Base-Backbone interact. energy: 0.098
local terms energy: -426.062331
where:
bonds (distance) C4'-P energy: -93.197
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -64.537
tors. eta vs tors. theta energy: -56.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -979.055875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.055875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.055875 (E_RNA)
where:
Base-Base interactions energy: -578.731
where: short stacking energy: -275.098
Base-Backbone interact. energy: 3.574
local terms energy: -403.898934
where:
bonds (distance) C4'-P energy: -125.934
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -104.777
flat angles P-C4'-P energy: -58.144
tors. eta vs tors. theta energy: -21.191
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: 291
Temperature: 0.900000
Total energy: -2570.552554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.552554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.552554 (E_RNA)
where:
Base-Base interactions energy: -1814.666
where: short stacking energy: -776.736
Base-Backbone interact. energy: -4.579
local terms energy: -751.307064
where:
bonds (distance) C4'-P energy: -139.920
bonds (distance) P-C4' energy: -153.333
flat angles C4'-P-C4' energy: -145.451
flat angles P-C4'-P energy: -100.634
tors. eta vs tors. theta energy: -211.968
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: 2, replica: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2511.528751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.528751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.528751 (E_RNA)
where:
Base-Base interactions energy: -1786.151
where: short stacking energy: -732.336
Base-Backbone interact. energy: -1.171
local terms energy: -724.206445
where:
bonds (distance) C4'-P energy: -130.552
bonds (distance) P-C4' energy: -143.377
flat angles C4'-P-C4' energy: -156.726
flat angles P-C4'-P energy: -104.902
tors. eta vs tors. theta energy: -188.650
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: 291
Temperature: 1.000000
Total energy: -2430.413779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.413779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.413779 (E_RNA)
where:
Base-Base interactions energy: -1707.127
where: short stacking energy: -703.853
Base-Backbone interact. energy: 2.583
local terms energy: -725.869160
where:
bonds (distance) C4'-P energy: -142.480
bonds (distance) P-C4' energy: -136.959
flat angles C4'-P-C4' energy: -152.865
flat angles P-C4'-P energy: -94.653
tors. eta vs tors. theta energy: -198.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2335.670294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.670294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.670294 (E_RNA)
where:
Base-Base interactions energy: -1657.345
where: short stacking energy: -700.019
Base-Backbone interact. energy: -2.237
local terms energy: -676.087878
where:
bonds (distance) C4'-P energy: -125.272
bonds (distance) P-C4' energy: -125.589
flat angles C4'-P-C4' energy: -146.783
flat angles P-C4'-P energy: -89.418
tors. eta vs tors. theta energy: -189.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2146.190027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.190027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.190027 (E_RNA)
where:
Base-Base interactions energy: -1497.119
where: short stacking energy: -670.229
Base-Backbone interact. energy: -1.385
local terms energy: -647.686131
where:
bonds (distance) C4'-P energy: -120.232
bonds (distance) P-C4' energy: -111.099
flat angles C4'-P-C4' energy: -129.394
flat angles P-C4'-P energy: -93.678
tors. eta vs tors. theta energy: -193.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -2033.200367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.200367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.200367 (E_RNA)
where:
Base-Base interactions energy: -1408.891
where: short stacking energy: -596.041
Base-Backbone interact. energy: -1.305
local terms energy: -623.004198
where:
bonds (distance) C4'-P energy: -110.578
bonds (distance) P-C4' energy: -126.635
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -106.371
tors. eta vs tors. theta energy: -160.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1798.716758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.716758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.716758 (E_RNA)
where:
Base-Base interactions energy: -1260.093
where: short stacking energy: -540.231
Base-Backbone interact. energy: -1.614
local terms energy: -537.009879
where:
bonds (distance) C4'-P energy: -119.309
bonds (distance) P-C4' energy: -106.583
flat angles C4'-P-C4' energy: -119.101
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -117.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1618.566496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.566496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.566496 (E_RNA)
where:
Base-Base interactions energy: -1110.030
where: short stacking energy: -485.270
Base-Backbone interact. energy: -3.900
local terms energy: -504.635843
where:
bonds (distance) C4'-P energy: -86.130
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -110.324
flat angles P-C4'-P energy: -76.607
tors. eta vs tors. theta energy: -104.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1295.813650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.813650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.813650 (E_RNA)
where:
Base-Base interactions energy: -847.102
where: short stacking energy: -361.652
Base-Backbone interact. energy: 5.075
local terms energy: -453.786637
where:
bonds (distance) C4'-P energy: -110.982
bonds (distance) P-C4' energy: -97.299
flat angles C4'-P-C4' energy: -131.037
flat angles P-C4'-P energy: -60.339
tors. eta vs tors. theta energy: -54.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -1007.934872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.934872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.934872 (E_RNA)
where:
Base-Base interactions energy: -610.990
where: short stacking energy: -303.422
Base-Backbone interact. energy: 0.193
local terms energy: -397.138422
where:
bonds (distance) C4'-P energy: -108.666
bonds (distance) P-C4' energy: -106.796
flat angles C4'-P-C4' energy: -82.946
flat angles P-C4'-P energy: -59.100
tors. eta vs tors. theta energy: -39.631
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: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2562.298751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.298751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.298751 (E_RNA)
where:
Base-Base interactions energy: -1818.430
where: short stacking energy: -752.726
Base-Backbone interact. energy: -5.385
local terms energy: -738.484360
where:
bonds (distance) C4'-P energy: -141.241
bonds (distance) P-C4' energy: -143.789
flat angles C4'-P-C4' energy: -152.484
flat angles P-C4'-P energy: -96.531
tors. eta vs tors. theta energy: -204.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2504.835663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.835663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.835663 (E_RNA)
where:
Base-Base interactions energy: -1774.894
where: short stacking energy: -732.291
Base-Backbone interact. energy: -2.642
local terms energy: -727.299963
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -145.171
flat angles C4'-P-C4' energy: -157.853
flat angles P-C4'-P energy: -97.743
tors. eta vs tors. theta energy: -206.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2463.601780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.601780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.601780 (E_RNA)
where:
Base-Base interactions energy: -1730.034
where: short stacking energy: -731.966
Base-Backbone interact. energy: 1.393
local terms energy: -734.960617
where:
bonds (distance) C4'-P energy: -141.421
bonds (distance) P-C4' energy: -148.472
flat angles C4'-P-C4' energy: -152.901
flat angles P-C4'-P energy: -92.824
tors. eta vs tors. theta energy: -199.342
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2337.049992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.049992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.049992 (E_RNA)
where:
Base-Base interactions energy: -1640.235
where: short stacking energy: -679.015
Base-Backbone interact. energy: -2.785
local terms energy: -694.030586
where:
bonds (distance) C4'-P energy: -122.058
bonds (distance) P-C4' energy: -140.407
flat angles C4'-P-C4' energy: -143.598
flat angles P-C4'-P energy: -95.177
tors. eta vs tors. theta energy: -192.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2154.789736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.789736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.789736 (E_RNA)
where:
Base-Base interactions energy: -1502.219
where: short stacking energy: -651.856
Base-Backbone interact. energy: -0.704
local terms energy: -651.866400
where:
bonds (distance) C4'-P energy: -130.399
bonds (distance) P-C4' energy: -124.298
flat angles C4'-P-C4' energy: -136.697
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -179.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -2096.463387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.463387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.463387 (E_RNA)
where:
Base-Base interactions energy: -1440.921
where: short stacking energy: -600.582
Base-Backbone interact. energy: -1.462
local terms energy: -654.079935
where:
bonds (distance) C4'-P energy: -134.416
bonds (distance) P-C4' energy: -138.278
flat angles C4'-P-C4' energy: -145.062
flat angles P-C4'-P energy: -92.039
tors. eta vs tors. theta energy: -144.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1763.841479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.841479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.841479 (E_RNA)
where:
Base-Base interactions energy: -1219.003
where: short stacking energy: -507.554
Base-Backbone interact. energy: -3.804
local terms energy: -541.034198
where:
bonds (distance) C4'-P energy: -88.684
bonds (distance) P-C4' energy: -123.846
flat angles C4'-P-C4' energy: -136.237
flat angles P-C4'-P energy: -78.285
tors. eta vs tors. theta energy: -113.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1621.481877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.481877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.481877 (E_RNA)
where:
Base-Base interactions energy: -1090.680
where: short stacking energy: -463.769
Base-Backbone interact. energy: -1.603
local terms energy: -529.198930
where:
bonds (distance) C4'-P energy: -116.359
bonds (distance) P-C4' energy: -114.215
flat angles C4'-P-C4' energy: -122.364
flat angles P-C4'-P energy: -75.856
tors. eta vs tors. theta energy: -100.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1329.893949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.893949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.893949 (E_RNA)
where:
Base-Base interactions energy: -882.410
where: short stacking energy: -400.542
Base-Backbone interact. energy: -2.573
local terms energy: -444.911013
where:
bonds (distance) C4'-P energy: -100.652
bonds (distance) P-C4' energy: -104.186
flat angles C4'-P-C4' energy: -111.685
flat angles P-C4'-P energy: -54.584
tors. eta vs tors. theta energy: -73.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -1063.413749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.413749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.413749 (E_RNA)
where:
Base-Base interactions energy: -625.596
where: short stacking energy: -347.411
Base-Backbone interact. energy: -0.202
local terms energy: -437.615828
where:
bonds (distance) C4'-P energy: -114.307
bonds (distance) P-C4' energy: -96.400
flat angles C4'-P-C4' energy: -119.663
flat angles P-C4'-P energy: -67.948
tors. eta vs tors. theta energy: -39.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2591.609522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.609522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.609522 (E_RNA)
where:
Base-Base interactions energy: -1840.437
where: short stacking energy: -762.311
Base-Backbone interact. energy: -3.326
local terms energy: -747.846281
where:
bonds (distance) C4'-P energy: -133.051
bonds (distance) P-C4' energy: -146.410
flat angles C4'-P-C4' energy: -154.764
flat angles P-C4'-P energy: -108.073
tors. eta vs tors. theta energy: -205.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2516.794483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.794483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.794483 (E_RNA)
where:
Base-Base interactions energy: -1772.157
where: short stacking energy: -754.300
Base-Backbone interact. energy: -3.831
local terms energy: -740.807335
where:
bonds (distance) C4'-P energy: -132.550
bonds (distance) P-C4' energy: -130.380
flat angles C4'-P-C4' energy: -163.414
flat angles P-C4'-P energy: -101.383
tors. eta vs tors. theta energy: -213.079
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: 2
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2461.679948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.679948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.679948 (E_RNA)
where:
Base-Base interactions energy: -1760.092
where: short stacking energy: -720.176
Base-Backbone interact. energy: 6.080
local terms energy: -707.667704
where:
bonds (distance) C4'-P energy: -137.023
bonds (distance) P-C4' energy: -124.169
flat angles C4'-P-C4' energy: -150.019
flat angles P-C4'-P energy: -90.391
tors. eta vs tors. theta energy: -206.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2313.079900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.079900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.079900 (E_RNA)
where:
Base-Base interactions energy: -1592.804
where: short stacking energy: -694.884
Base-Backbone interact. energy: 1.802
local terms energy: -722.077284
where:
bonds (distance) C4'-P energy: -149.934
bonds (distance) P-C4' energy: -139.483
flat angles C4'-P-C4' energy: -156.764
flat angles P-C4'-P energy: -88.798
tors. eta vs tors. theta energy: -187.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2142.867097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.867097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.867097 (E_RNA)
where:
Base-Base interactions energy: -1496.103
where: short stacking energy: -646.438
Base-Backbone interact. energy: 0.420
local terms energy: -647.183642
where:
bonds (distance) C4'-P energy: -116.726
bonds (distance) P-C4' energy: -127.664
flat angles C4'-P-C4' energy: -148.667
flat angles P-C4'-P energy: -78.068
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: 6, replica: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -2074.436788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.436788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.436788 (E_RNA)
where:
Base-Base interactions energy: -1470.290
where: short stacking energy: -625.226
Base-Backbone interact. energy: 1.995
local terms energy: -606.141701
where:
bonds (distance) C4'-P energy: -117.445
bonds (distance) P-C4' energy: -104.796
flat angles C4'-P-C4' energy: -137.677
flat angles P-C4'-P energy: -88.618
tors. eta vs tors. theta energy: -157.605
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1840.843248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.843248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.843248 (E_RNA)
where:
Base-Base interactions energy: -1282.292
where: short stacking energy: -533.686
Base-Backbone interact. energy: 1.283
local terms energy: -559.833852
where:
bonds (distance) C4'-P energy: -108.863
bonds (distance) P-C4' energy: -105.049
flat angles C4'-P-C4' energy: -119.756
flat angles P-C4'-P energy: -93.018
tors. eta vs tors. theta energy: -133.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1642.261965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.261965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.261965 (E_RNA)
where:
Base-Base interactions energy: -1096.988
where: short stacking energy: -464.034
Base-Backbone interact. energy: -2.365
local terms energy: -542.909238
where:
bonds (distance) C4'-P energy: -128.615
bonds (distance) P-C4' energy: -99.336
flat angles C4'-P-C4' energy: -132.626
flat angles P-C4'-P energy: -84.229
tors. eta vs tors. theta energy: -98.103
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1370.907541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.907541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.907541 (E_RNA)
where:
Base-Base interactions energy: -920.538
where: short stacking energy: -423.383
Base-Backbone interact. energy: 0.725
local terms energy: -451.093925
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -126.092
flat angles C4'-P-C4' energy: -91.953
flat angles P-C4'-P energy: -64.443
tors. eta vs tors. theta energy: -68.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -1081.622067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.622067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.622067 (E_RNA)
where:
Base-Base interactions energy: -657.494
where: short stacking energy: -303.717
Base-Backbone interact. energy: 2.636
local terms energy: -426.764378
where:
bonds (distance) C4'-P energy: -103.916
bonds (distance) P-C4' energy: -122.720
flat angles C4'-P-C4' energy: -77.381
flat angles P-C4'-P energy: -72.437
tors. eta vs tors. theta energy: -50.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2569.225022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.225022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.225022 (E_RNA)
where:
Base-Base interactions energy: -1796.404
where: short stacking energy: -763.187
Base-Backbone interact. energy: 1.758
local terms energy: -774.579258
where:
bonds (distance) C4'-P energy: -138.249
bonds (distance) P-C4' energy: -153.271
flat angles C4'-P-C4' energy: -160.950
flat angles P-C4'-P energy: -120.528
tors. eta vs tors. theta energy: -201.582
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2487.241744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.241744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.241744 (E_RNA)
where:
Base-Base interactions energy: -1757.141
where: short stacking energy: -747.378
Base-Backbone interact. energy: -0.428
local terms energy: -729.673676
where:
bonds (distance) C4'-P energy: -122.079
bonds (distance) P-C4' energy: -137.147
flat angles C4'-P-C4' energy: -164.293
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -206.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2438.333247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.333247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.333247 (E_RNA)
where:
Base-Base interactions energy: -1750.409
where: short stacking energy: -724.974
Base-Backbone interact. energy: 2.864
local terms energy: -690.787818
where:
bonds (distance) C4'-P energy: -110.033
bonds (distance) P-C4' energy: -131.394
flat angles C4'-P-C4' energy: -145.569
flat angles P-C4'-P energy: -107.644
tors. eta vs tors. theta energy: -196.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2315.677185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.677185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.677185 (E_RNA)
where:
Base-Base interactions energy: -1605.212
where: short stacking energy: -683.925
Base-Backbone interact. energy: 0.019
local terms energy: -710.484291
where:
bonds (distance) C4'-P energy: -115.763
bonds (distance) P-C4' energy: -118.803
flat angles C4'-P-C4' energy: -154.128
flat angles P-C4'-P energy: -107.918
tors. eta vs tors. theta energy: -213.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2150.311441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.311441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.311441 (E_RNA)
where:
Base-Base interactions energy: -1471.023
where: short stacking energy: -654.044
Base-Backbone interact. energy: -0.994
local terms energy: -678.294708
where:
bonds (distance) C4'-P energy: -115.074
bonds (distance) P-C4' energy: -120.917
flat angles C4'-P-C4' energy: -152.939
flat angles P-C4'-P energy: -103.424
tors. eta vs tors. theta energy: -185.940
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: 6
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -2114.431782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.431782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.431782 (E_RNA)
where:
Base-Base interactions energy: -1505.546
where: short stacking energy: -618.660
Base-Backbone interact. energy: -1.668
local terms energy: -607.218077
where:
bonds (distance) C4'-P energy: -109.516
bonds (distance) P-C4' energy: -118.022
flat angles C4'-P-C4' energy: -128.055
flat angles P-C4'-P energy: -77.394
tors. eta vs tors. theta energy: -174.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1799.364001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.364001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.364001 (E_RNA)
where:
Base-Base interactions energy: -1270.415
where: short stacking energy: -524.116
Base-Backbone interact. energy: 1.427
local terms energy: -530.375485
where:
bonds (distance) C4'-P energy: -105.285
bonds (distance) P-C4' energy: -114.325
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -73.393
tors. eta vs tors. theta energy: -103.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1672.813517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.813517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.813517 (E_RNA)
where:
Base-Base interactions energy: -1130.527
where: short stacking energy: -486.411
Base-Backbone interact. energy: -1.438
local terms energy: -540.848574
where:
bonds (distance) C4'-P energy: -111.992
bonds (distance) P-C4' energy: -117.839
flat angles C4'-P-C4' energy: -135.136
flat angles P-C4'-P energy: -71.845
tors. eta vs tors. theta energy: -104.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1344.435533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.435533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.435533 (E_RNA)
where:
Base-Base interactions energy: -843.838
where: short stacking energy: -394.790
Base-Backbone interact. energy: -4.754
local terms energy: -495.843424
where:
bonds (distance) C4'-P energy: -103.254
bonds (distance) P-C4' energy: -131.196
flat angles C4'-P-C4' energy: -117.330
flat angles P-C4'-P energy: -64.981
tors. eta vs tors. theta energy: -79.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -993.740259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.740259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.740259 (E_RNA)
where:
Base-Base interactions energy: -607.076
where: short stacking energy: -278.535
Base-Backbone interact. energy: 3.076
local terms energy: -389.740231
where:
bonds (distance) C4'-P energy: -121.238
bonds (distance) P-C4' energy: -126.362
flat angles C4'-P-C4' energy: -89.029
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2554.179392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.179392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.179392 (E_RNA)
where:
Base-Base interactions energy: -1847.448
where: short stacking energy: -771.771
Base-Backbone interact. energy: -2.708
local terms energy: -704.023027
where:
bonds (distance) C4'-P energy: -127.097
bonds (distance) P-C4' energy: -140.649
flat angles C4'-P-C4' energy: -152.203
flat angles P-C4'-P energy: -84.061
tors. eta vs tors. theta energy: -200.013
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: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2501.191362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.191362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.191362 (E_RNA)
where:
Base-Base interactions energy: -1789.624
where: short stacking energy: -740.036
Base-Backbone interact. energy: -3.598
local terms energy: -707.969271
where:
bonds (distance) C4'-P energy: -128.054
bonds (distance) P-C4' energy: -137.573
flat angles C4'-P-C4' energy: -151.954
flat angles P-C4'-P energy: -82.362
tors. eta vs tors. theta energy: -208.026
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2458.557275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.557275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.557275 (E_RNA)
where:
Base-Base interactions energy: -1736.281
where: short stacking energy: -734.724
Base-Backbone interact. energy: 1.498
local terms energy: -723.773534
where:
bonds (distance) C4'-P energy: -128.337
bonds (distance) P-C4' energy: -144.761
flat angles C4'-P-C4' energy: -148.321
flat angles P-C4'-P energy: -103.061
tors. eta vs tors. theta energy: -199.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2341.125505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.125505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.125505 (E_RNA)
where:
Base-Base interactions energy: -1666.826
where: short stacking energy: -724.082
Base-Backbone interact. energy: -1.660
local terms energy: -672.639118
where:
bonds (distance) C4'-P energy: -114.898
bonds (distance) P-C4' energy: -122.451
flat angles C4'-P-C4' energy: -141.645
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -203.079
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2171.174922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.174922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.174922 (E_RNA)
where:
Base-Base interactions energy: -1480.918
where: short stacking energy: -675.731
Base-Backbone interact. energy: -1.432
local terms energy: -688.825356
where:
bonds (distance) C4'-P energy: -130.248
bonds (distance) P-C4' energy: -127.806
flat angles C4'-P-C4' energy: -141.327
flat angles P-C4'-P energy: -97.798
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: 6, replica: 6
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -2082.780996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.780996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.780996 (E_RNA)
where:
Base-Base interactions energy: -1486.957
where: short stacking energy: -625.938
Base-Backbone interact. energy: 3.814
local terms energy: -599.637534
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -112.438
flat angles C4'-P-C4' energy: -139.885
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -170.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1756.762383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.762383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.762383 (E_RNA)
where:
Base-Base interactions energy: -1162.411
where: short stacking energy: -505.652
Base-Backbone interact. energy: -0.649
local terms energy: -593.702461
where:
bonds (distance) C4'-P energy: -135.241
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -141.910
flat angles P-C4'-P energy: -88.943
tors. eta vs tors. theta energy: -115.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1682.524469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.524469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.524469 (E_RNA)
where:
Base-Base interactions energy: -1144.816
where: short stacking energy: -487.884
Base-Backbone interact. energy: -2.649
local terms energy: -535.059126
where:
bonds (distance) C4'-P energy: -114.361
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -114.926
flat angles P-C4'-P energy: -82.500
tors. eta vs tors. theta energy: -112.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1348.161623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.161623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.161623 (E_RNA)
where:
Base-Base interactions energy: -895.409
where: short stacking energy: -410.112
Base-Backbone interact. energy: -2.369
local terms energy: -450.383998
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -116.499
flat angles C4'-P-C4' energy: -104.251
flat angles P-C4'-P energy: -60.681
tors. eta vs tors. theta energy: -64.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -984.925963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.925963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.925963 (E_RNA)
where:
Base-Base interactions energy: -606.915
where: short stacking energy: -305.305
Base-Backbone interact. energy: 2.438
local terms energy: -380.449309
where:
bonds (distance) C4'-P energy: -98.025
bonds (distance) P-C4' energy: -103.567
flat angles C4'-P-C4' energy: -95.447
flat angles P-C4'-P energy: -52.407
tors. eta vs tors. theta energy: -31.003
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: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2599.303202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.303202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.303202 (E_RNA)
where:
Base-Base interactions energy: -1831.954
where: short stacking energy: -750.174
Base-Backbone interact. energy: 2.038
local terms energy: -769.387583
where:
bonds (distance) C4'-P energy: -131.836
bonds (distance) P-C4' energy: -146.137
flat angles C4'-P-C4' energy: -177.021
flat angles P-C4'-P energy: -111.566
tors. eta vs tors. theta energy: -202.828
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: 3
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2471.362959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.362959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.362959 (E_RNA)
where:
Base-Base interactions energy: -1737.812
where: short stacking energy: -709.539
Base-Backbone interact. energy: -2.855
local terms energy: -730.695374
where:
bonds (distance) C4'-P energy: -119.788
bonds (distance) P-C4' energy: -142.572
flat angles C4'-P-C4' energy: -157.031
flat angles P-C4'-P energy: -104.422
tors. eta vs tors. theta energy: -206.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2427.364764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.364764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.364764 (E_RNA)
where:
Base-Base interactions energy: -1714.938
where: short stacking energy: -703.126
Base-Backbone interact. energy: -0.993
local terms energy: -711.432955
where:
bonds (distance) C4'-P energy: -138.056
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -139.678
flat angles P-C4'-P energy: -102.573
tors. eta vs tors. theta energy: -199.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2340.439740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.439740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.439740 (E_RNA)
where:
Base-Base interactions energy: -1599.460
where: short stacking energy: -718.885
Base-Backbone interact. energy: -2.822
local terms energy: -738.158128
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -125.208
flat angles C4'-P-C4' energy: -157.953
flat angles P-C4'-P energy: -108.286
tors. eta vs tors. theta energy: -208.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2150.925676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.925676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.925676 (E_RNA)
where:
Base-Base interactions energy: -1479.507
where: short stacking energy: -641.369
Base-Backbone interact. energy: -2.832
local terms energy: -668.586650
where:
bonds (distance) C4'-P energy: -120.722
bonds (distance) P-C4' energy: -138.187
flat angles C4'-P-C4' energy: -143.996
flat angles P-C4'-P energy: -74.935
tors. eta vs tors. theta energy: -190.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -2054.896425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.896425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.896425 (E_RNA)
where:
Base-Base interactions energy: -1429.154
where: short stacking energy: -608.064
Base-Backbone interact. energy: -0.660
local terms energy: -625.082196
where:
bonds (distance) C4'-P energy: -116.650
bonds (distance) P-C4' energy: -116.701
flat angles C4'-P-C4' energy: -138.964
flat angles P-C4'-P energy: -100.927
tors. eta vs tors. theta energy: -151.840
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: 9
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1841.541441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.541441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.541441 (E_RNA)
where:
Base-Base interactions energy: -1284.949
where: short stacking energy: -548.085
Base-Backbone interact. energy: -4.521
local terms energy: -552.072233
where:
bonds (distance) C4'-P energy: -99.798
bonds (distance) P-C4' energy: -103.023
flat angles C4'-P-C4' energy: -129.777
flat angles P-C4'-P energy: -97.507
tors. eta vs tors. theta energy: -121.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1657.017440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.017440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.017440 (E_RNA)
where:
Base-Base interactions energy: -1108.483
where: short stacking energy: -461.979
Base-Backbone interact. energy: 0.273
local terms energy: -548.806551
where:
bonds (distance) C4'-P energy: -110.756
bonds (distance) P-C4' energy: -139.727
flat angles C4'-P-C4' energy: -110.956
flat angles P-C4'-P energy: -74.570
tors. eta vs tors. theta energy: -112.798
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: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1370.740664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.740664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.740664 (E_RNA)
where:
Base-Base interactions energy: -836.335
where: short stacking energy: -365.796
Base-Backbone interact. energy: -2.421
local terms energy: -531.984498
where:
bonds (distance) C4'-P energy: -124.314
bonds (distance) P-C4' energy: -111.292
flat angles C4'-P-C4' energy: -121.936
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -85.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -1006.930884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.930884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.930884 (E_RNA)
where:
Base-Base interactions energy: -597.747
where: short stacking energy: -293.027
Base-Backbone interact. energy: -0.705
local terms energy: -408.478968
where:
bonds (distance) C4'-P energy: -101.005
bonds (distance) P-C4' energy: -101.910
flat angles C4'-P-C4' energy: -107.074
flat angles P-C4'-P energy: -71.959
tors. eta vs tors. theta energy: -26.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2604.576934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.576934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.576934 (E_RNA)
where:
Base-Base interactions energy: -1838.850
where: short stacking energy: -770.527
Base-Backbone interact. energy: -1.202
local terms energy: -764.525029
where:
bonds (distance) C4'-P energy: -134.594
bonds (distance) P-C4' energy: -129.999
flat angles C4'-P-C4' energy: -162.176
flat angles P-C4'-P energy: -122.871
tors. eta vs tors. theta energy: -214.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2493.544491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.544491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.544491 (E_RNA)
where:
Base-Base interactions energy: -1758.231
where: short stacking energy: -745.655
Base-Backbone interact. energy: 0.937
local terms energy: -736.250445
where:
bonds (distance) C4'-P energy: -128.051
bonds (distance) P-C4' energy: -147.990
flat angles C4'-P-C4' energy: -158.903
flat angles P-C4'-P energy: -93.172
tors. eta vs tors. theta energy: -208.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2443.749939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.749939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.749939 (E_RNA)
where:
Base-Base interactions energy: -1713.510
where: short stacking energy: -695.202
Base-Backbone interact. energy: -1.890
local terms energy: -728.350224
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -137.124
flat angles C4'-P-C4' energy: -160.865
flat angles P-C4'-P energy: -96.642
tors. eta vs tors. theta energy: -200.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2290.436859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.436859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.436859 (E_RNA)
where:
Base-Base interactions energy: -1602.357
where: short stacking energy: -682.929
Base-Backbone interact. energy: -0.565
local terms energy: -687.514589
where:
bonds (distance) C4'-P energy: -112.024
bonds (distance) P-C4' energy: -124.280
flat angles C4'-P-C4' energy: -155.425
flat angles P-C4'-P energy: -104.640
tors. eta vs tors. theta energy: -191.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2166.296698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.296698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.296698 (E_RNA)
where:
Base-Base interactions energy: -1493.407
where: short stacking energy: -683.344
Base-Backbone interact. energy: -1.163
local terms energy: -671.726755
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -130.464
flat angles C4'-P-C4' energy: -150.848
flat angles P-C4'-P energy: -91.976
tors. eta vs tors. theta energy: -187.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -2037.267383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.267383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.267383 (E_RNA)
where:
Base-Base interactions energy: -1424.878
where: short stacking energy: -592.232
Base-Backbone interact. energy: 3.875
local terms energy: -616.265094
where:
bonds (distance) C4'-P energy: -107.531
bonds (distance) P-C4' energy: -131.382
flat angles C4'-P-C4' energy: -135.171
flat angles P-C4'-P energy: -92.429
tors. eta vs tors. theta energy: -149.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1807.794691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.794691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.794691 (E_RNA)
where:
Base-Base interactions energy: -1227.935
where: short stacking energy: -519.820
Base-Backbone interact. energy: -0.870
local terms energy: -578.990251
where:
bonds (distance) C4'-P energy: -118.876
bonds (distance) P-C4' energy: -128.644
flat angles C4'-P-C4' energy: -134.841
flat angles P-C4'-P energy: -85.482
tors. eta vs tors. theta energy: -111.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1641.277876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.277876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.277876 (E_RNA)
where:
Base-Base interactions energy: -1119.091
where: short stacking energy: -451.075
Base-Backbone interact. energy: -2.688
local terms energy: -519.499059
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -120.490
flat angles C4'-P-C4' energy: -123.364
flat angles P-C4'-P energy: -80.234
tors. eta vs tors. theta energy: -96.775
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: 4
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1287.926170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.926170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.926170 (E_RNA)
where:
Base-Base interactions energy: -832.628
where: short stacking energy: -384.920
Base-Backbone interact. energy: -2.460
local terms energy: -452.837456
where:
bonds (distance) C4'-P energy: -123.122
bonds (distance) P-C4' energy: -113.992
flat angles C4'-P-C4' energy: -95.508
flat angles P-C4'-P energy: -60.585
tors. eta vs tors. theta energy: -59.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -942.916451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.916451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.916451 (E_RNA)
where:
Base-Base interactions energy: -534.693
where: short stacking energy: -276.321
Base-Backbone interact. energy: 0.211
local terms energy: -408.434917
where:
bonds (distance) C4'-P energy: -100.848
bonds (distance) P-C4' energy: -119.097
flat angles C4'-P-C4' energy: -95.354
flat angles P-C4'-P energy: -54.896
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: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2587.027014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.027014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.027014 (E_RNA)
where:
Base-Base interactions energy: -1823.026
where: short stacking energy: -752.802
Base-Backbone interact. energy: -4.673
local terms energy: -759.328504
where:
bonds (distance) C4'-P energy: -140.548
bonds (distance) P-C4' energy: -145.316
flat angles C4'-P-C4' energy: -149.616
flat angles P-C4'-P energy: -116.025
tors. eta vs tors. theta energy: -207.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2483.401834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.401834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.401834 (E_RNA)
where:
Base-Base interactions energy: -1757.038
where: short stacking energy: -744.101
Base-Backbone interact. energy: 2.714
local terms energy: -729.078447
where:
bonds (distance) C4'-P energy: -119.332
bonds (distance) P-C4' energy: -129.143
flat angles C4'-P-C4' energy: -161.347
flat angles P-C4'-P energy: -101.265
tors. eta vs tors. theta energy: -217.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2410.941692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.941692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.941692 (E_RNA)
where:
Base-Base interactions energy: -1733.863
where: short stacking energy: -706.928
Base-Backbone interact. energy: -1.978
local terms energy: -675.100396
where:
bonds (distance) C4'-P energy: -121.990
bonds (distance) P-C4' energy: -115.152
flat angles C4'-P-C4' energy: -151.898
flat angles P-C4'-P energy: -93.464
tors. eta vs tors. theta energy: -192.596
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: 4, replica: 5
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2335.118726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.118726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.118726 (E_RNA)
where:
Base-Base interactions energy: -1634.879
where: short stacking energy: -701.312
Base-Backbone interact. energy: 4.130
local terms energy: -704.368994
where:
bonds (distance) C4'-P energy: -137.741
bonds (distance) P-C4' energy: -131.978
flat angles C4'-P-C4' energy: -146.171
flat angles P-C4'-P energy: -99.729
tors. eta vs tors. theta energy: -188.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2156.194713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.194713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.194713 (E_RNA)
where:
Base-Base interactions energy: -1486.534
where: short stacking energy: -684.672
Base-Backbone interact. energy: -1.461
local terms energy: -668.199821
where:
bonds (distance) C4'-P energy: -117.267
bonds (distance) P-C4' energy: -127.776
flat angles C4'-P-C4' energy: -139.082
flat angles P-C4'-P energy: -88.663
tors. eta vs tors. theta energy: -195.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -2042.164749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.164749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.164749 (E_RNA)
where:
Base-Base interactions energy: -1417.661
where: short stacking energy: -613.219
Base-Backbone interact. energy: 6.167
local terms energy: -630.670288
where:
bonds (distance) C4'-P energy: -115.452
bonds (distance) P-C4' energy: -126.006
flat angles C4'-P-C4' energy: -135.992
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -162.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1832.304989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.304989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.304989 (E_RNA)
where:
Base-Base interactions energy: -1285.592
where: short stacking energy: -530.328
Base-Backbone interact. energy: 0.571
local terms energy: -547.284265
where:
bonds (distance) C4'-P energy: -97.070
bonds (distance) P-C4' energy: -118.572
flat angles C4'-P-C4' energy: -125.289
flat angles P-C4'-P energy: -83.629
tors. eta vs tors. theta energy: -122.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1601.301665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.301665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.301665 (E_RNA)
where:
Base-Base interactions energy: -1117.611
where: short stacking energy: -473.208
Base-Backbone interact. energy: -0.727
local terms energy: -482.964296
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -113.394
flat angles C4'-P-C4' energy: -113.853
flat angles P-C4'-P energy: -69.128
tors. eta vs tors. theta energy: -97.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1301.070408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.070408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.070408 (E_RNA)
where:
Base-Base interactions energy: -859.419
where: short stacking energy: -374.236
Base-Backbone interact. energy: -0.100
local terms energy: -441.550683
where:
bonds (distance) C4'-P energy: -110.185
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -103.004
flat angles P-C4'-P energy: -79.095
tors. eta vs tors. theta energy: -44.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -987.127474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.127474 (E_RNA)
where:
Base-Base interactions energy: -571.146
where: short stacking energy: -302.411
Base-Backbone interact. energy: -1.996
local terms energy: -413.985406
where:
bonds (distance) C4'-P energy: -98.647
bonds (distance) P-C4' energy: -106.039
flat angles C4'-P-C4' energy: -123.020
flat angles P-C4'-P energy: -62.503
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2587.377985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.377985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.377985 (E_RNA)
where:
Base-Base interactions energy: -1833.373
where: short stacking energy: -757.128
Base-Backbone interact. energy: -1.826
local terms energy: -752.179170
where:
bonds (distance) C4'-P energy: -135.998
bonds (distance) P-C4' energy: -138.087
flat angles C4'-P-C4' energy: -156.683
flat angles P-C4'-P energy: -114.933
tors. eta vs tors. theta energy: -206.478
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: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2517.981448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.981448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.981448 (E_RNA)
where:
Base-Base interactions energy: -1773.165
where: short stacking energy: -722.275
Base-Backbone interact. energy: -6.338
local terms energy: -738.478713
where:
bonds (distance) C4'-P energy: -139.762
bonds (distance) P-C4' energy: -135.728
flat angles C4'-P-C4' energy: -155.737
flat angles P-C4'-P energy: -97.415
tors. eta vs tors. theta energy: -209.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2442.370866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.370866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.370866 (E_RNA)
where:
Base-Base interactions energy: -1754.538
where: short stacking energy: -714.571
Base-Backbone interact. energy: -2.577
local terms energy: -685.255552
where:
bonds (distance) C4'-P energy: -129.751
bonds (distance) P-C4' energy: -131.590
flat angles C4'-P-C4' energy: -138.977
flat angles P-C4'-P energy: -91.684
tors. eta vs tors. theta energy: -193.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2408.062767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.062767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.062767 (E_RNA)
where:
Base-Base interactions energy: -1689.916
where: short stacking energy: -731.283
Base-Backbone interact. energy: -0.543
local terms energy: -717.603295
where:
bonds (distance) C4'-P energy: -132.545
bonds (distance) P-C4' energy: -124.592
flat angles C4'-P-C4' energy: -156.710
flat angles P-C4'-P energy: -98.814
tors. eta vs tors. theta energy: -204.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2148.090239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.090239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.090239 (E_RNA)
where:
Base-Base interactions energy: -1465.239
where: short stacking energy: -636.624
Base-Backbone interact. energy: -2.275
local terms energy: -680.576177
where:
bonds (distance) C4'-P energy: -123.667
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -148.157
flat angles P-C4'-P energy: -91.559
tors. eta vs tors. theta energy: -184.041
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: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -2052.489246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.489246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.489246 (E_RNA)
where:
Base-Base interactions energy: -1444.584
where: short stacking energy: -602.873
Base-Backbone interact. energy: -1.906
local terms energy: -605.999846
where:
bonds (distance) C4'-P energy: -101.488
bonds (distance) P-C4' energy: -116.254
flat angles C4'-P-C4' energy: -135.079
flat angles P-C4'-P energy: -92.152
tors. eta vs tors. theta energy: -161.026
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: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1762.553931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.553931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.553931 (E_RNA)
where:
Base-Base interactions energy: -1200.558
where: short stacking energy: -511.249
Base-Backbone interact. energy: -1.038
local terms energy: -560.957833
where:
bonds (distance) C4'-P energy: -118.671
bonds (distance) P-C4' energy: -122.417
flat angles C4'-P-C4' energy: -128.461
flat angles P-C4'-P energy: -71.321
tors. eta vs tors. theta energy: -120.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1725.279014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.279014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.279014 (E_RNA)
where:
Base-Base interactions energy: -1173.802
where: short stacking energy: -493.762
Base-Backbone interact. energy: 0.541
local terms energy: -552.018465
where:
bonds (distance) C4'-P energy: -119.783
bonds (distance) P-C4' energy: -111.916
flat angles C4'-P-C4' energy: -135.622
flat angles P-C4'-P energy: -83.277
tors. eta vs tors. theta energy: -101.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1348.472037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.472037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.472037 (E_RNA)
where:
Base-Base interactions energy: -865.330
where: short stacking energy: -404.441
Base-Backbone interact. energy: 3.066
local terms energy: -486.208521
where:
bonds (distance) C4'-P energy: -102.036
bonds (distance) P-C4' energy: -119.882
flat angles C4'-P-C4' energy: -125.253
flat angles P-C4'-P energy: -69.858
tors. eta vs tors. theta energy: -69.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -904.170305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.170305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.170305 (E_RNA)
where:
Base-Base interactions energy: -509.289
where: short stacking energy: -292.918
Base-Backbone interact. energy: -3.723
local terms energy: -391.158197
where:
bonds (distance) C4'-P energy: -105.807
bonds (distance) P-C4' energy: -107.756
flat angles C4'-P-C4' energy: -96.889
flat angles P-C4'-P energy: -56.818
tors. eta vs tors. theta energy: -23.888
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: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2573.012673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.012673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.012673 (E_RNA)
where:
Base-Base interactions energy: -1825.158
where: short stacking energy: -747.817
Base-Backbone interact. energy: -4.810
local terms energy: -743.043950
where:
bonds (distance) C4'-P energy: -140.508
bonds (distance) P-C4' energy: -141.437
flat angles C4'-P-C4' energy: -155.096
flat angles P-C4'-P energy: -104.573
tors. eta vs tors. theta energy: -201.430
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: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2501.420509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.420509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.420509 (E_RNA)
where:
Base-Base interactions energy: -1814.455
where: short stacking energy: -758.994
Base-Backbone interact. energy: 2.494
local terms energy: -689.458854
where:
bonds (distance) C4'-P energy: -128.025
bonds (distance) P-C4' energy: -121.299
flat angles C4'-P-C4' energy: -148.246
flat angles P-C4'-P energy: -89.267
tors. eta vs tors. theta energy: -202.622
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: 300
Temperature: 1.000000
Total energy: -2419.564166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.564166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.564166 (E_RNA)
where:
Base-Base interactions energy: -1720.334
where: short stacking energy: -730.855
Base-Backbone interact. energy: -1.686
local terms energy: -697.544318
where:
bonds (distance) C4'-P energy: -116.600
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -142.595
flat angles P-C4'-P energy: -110.670
tors. eta vs tors. theta energy: -194.383
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: 5
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2345.393845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.393845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.393845 (E_RNA)
where:
Base-Base interactions energy: -1651.542
where: short stacking energy: -706.741
Base-Backbone interact. energy: -3.829
local terms energy: -690.022648
where:
bonds (distance) C4'-P energy: -129.845
bonds (distance) P-C4' energy: -123.952
flat angles C4'-P-C4' energy: -142.701
flat angles P-C4'-P energy: -99.660
tors. eta vs tors. theta energy: -193.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -2121.515568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.515568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.515568 (E_RNA)
where:
Base-Base interactions energy: -1463.879
where: short stacking energy: -655.592
Base-Backbone interact. energy: -2.878
local terms energy: -654.758753
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -117.181
flat angles C4'-P-C4' energy: -145.677
flat angles P-C4'-P energy: -71.043
tors. eta vs tors. theta energy: -199.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -2047.565349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.565349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.565349 (E_RNA)
where:
Base-Base interactions energy: -1402.684
where: short stacking energy: -626.980
Base-Backbone interact. energy: 2.586
local terms energy: -647.467407
where:
bonds (distance) C4'-P energy: -115.340
bonds (distance) P-C4' energy: -133.403
flat angles C4'-P-C4' energy: -130.380
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -177.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1786.146908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.146908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.146908 (E_RNA)
where:
Base-Base interactions energy: -1204.289
where: short stacking energy: -528.416
Base-Backbone interact. energy: -0.741
local terms energy: -581.116920
where:
bonds (distance) C4'-P energy: -112.140
bonds (distance) P-C4' energy: -130.260
flat angles C4'-P-C4' energy: -133.838
flat angles P-C4'-P energy: -88.432
tors. eta vs tors. theta energy: -116.448
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: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1685.127302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.127302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.127302 (E_RNA)
where:
Base-Base interactions energy: -1144.423
where: short stacking energy: -464.579
Base-Backbone interact. energy: 2.213
local terms energy: -542.916907
where:
bonds (distance) C4'-P energy: -127.198
bonds (distance) P-C4' energy: -110.851
flat angles C4'-P-C4' energy: -126.506
flat angles P-C4'-P energy: -74.813
tors. eta vs tors. theta energy: -103.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1316.978843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.978843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.978843 (E_RNA)
where:
Base-Base interactions energy: -851.940
where: short stacking energy: -367.995
Base-Backbone interact. energy: -0.766
local terms energy: -464.272274
where:
bonds (distance) C4'-P energy: -111.145
bonds (distance) P-C4' energy: -120.532
flat angles C4'-P-C4' energy: -108.382
flat angles P-C4'-P energy: -74.959
tors. eta vs tors. theta energy: -49.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -938.667894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.667894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.667894 (E_RNA)
where:
Base-Base interactions energy: -549.671
where: short stacking energy: -270.462
Base-Backbone interact. energy: -3.062
local terms energy: -385.935368
where:
bonds (distance) C4'-P energy: -117.512
bonds (distance) P-C4' energy: -107.995
flat angles C4'-P-C4' energy: -105.637
flat angles P-C4'-P energy: -47.156
tors. eta vs tors. theta energy: -7.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2598.657108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.657108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.657108 (E_RNA)
where:
Base-Base interactions energy: -1823.073
where: short stacking energy: -768.943
Base-Backbone interact. energy: -2.223
local terms energy: -773.360630
where:
bonds (distance) C4'-P energy: -149.573
bonds (distance) P-C4' energy: -137.682
flat angles C4'-P-C4' energy: -166.502
flat angles P-C4'-P energy: -114.089
tors. eta vs tors. theta energy: -205.514
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: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2525.898673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.898673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.898673 (E_RNA)
where:
Base-Base interactions energy: -1792.691
where: short stacking energy: -764.970
Base-Backbone interact. energy: 0.040
local terms energy: -733.247974
where:
bonds (distance) C4'-P energy: -138.694
bonds (distance) P-C4' energy: -134.557
flat angles C4'-P-C4' energy: -145.853
flat angles P-C4'-P energy: -102.634
tors. eta vs tors. theta energy: -211.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -2414.488291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.488291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.488291 (E_RNA)
where:
Base-Base interactions energy: -1714.210
where: short stacking energy: -736.837
Base-Backbone interact. energy: 3.559
local terms energy: -703.836895
where:
bonds (distance) C4'-P energy: -124.550
bonds (distance) P-C4' energy: -138.818
flat angles C4'-P-C4' energy: -156.713
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -201.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2388.595490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.595490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.595490 (E_RNA)
where:
Base-Base interactions energy: -1665.294
where: short stacking energy: -718.985
Base-Backbone interact. energy: -2.100
local terms energy: -721.202292
where:
bonds (distance) C4'-P energy: -128.019
bonds (distance) P-C4' energy: -141.867
flat angles C4'-P-C4' energy: -147.297
flat angles P-C4'-P energy: -96.658
tors. eta vs tors. theta energy: -207.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2100.967549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.967549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.967549 (E_RNA)
where:
Base-Base interactions energy: -1429.160
where: short stacking energy: -632.866
Base-Backbone interact. energy: 1.937
local terms energy: -673.744770
where:
bonds (distance) C4'-P energy: -134.916
bonds (distance) P-C4' energy: -134.472
flat angles C4'-P-C4' energy: -139.574
flat angles P-C4'-P energy: -91.785
tors. eta vs tors. theta energy: -172.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -2112.349802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.349802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.349802 (E_RNA)
where:
Base-Base interactions energy: -1481.528
where: short stacking energy: -597.699
Base-Backbone interact. energy: 1.253
local terms energy: -632.074948
where:
bonds (distance) C4'-P energy: -103.489
bonds (distance) P-C4' energy: -131.643
flat angles C4'-P-C4' energy: -139.205
flat angles P-C4'-P energy: -93.789
tors. eta vs tors. theta energy: -163.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1800.900359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.900359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.900359 (E_RNA)
where:
Base-Base interactions energy: -1239.805
where: short stacking energy: -539.965
Base-Backbone interact. energy: 5.568
local terms energy: -566.663459
where:
bonds (distance) C4'-P energy: -101.307
bonds (distance) P-C4' energy: -117.879
flat angles C4'-P-C4' energy: -138.760
flat angles P-C4'-P energy: -79.163
tors. eta vs tors. theta energy: -129.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1631.870613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.870613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.870613 (E_RNA)
where:
Base-Base interactions energy: -1085.487
where: short stacking energy: -450.885
Base-Backbone interact. energy: -1.897
local terms energy: -544.486873
where:
bonds (distance) C4'-P energy: -111.431
bonds (distance) P-C4' energy: -122.630
flat angles C4'-P-C4' energy: -126.972
flat angles P-C4'-P energy: -79.557
tors. eta vs tors. theta energy: -103.897
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: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1301.304640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.304640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.304640 (E_RNA)
where:
Base-Base interactions energy: -851.500
where: short stacking energy: -374.087
Base-Backbone interact. energy: 0.429
local terms energy: -450.233303
where:
bonds (distance) C4'-P energy: -89.652
bonds (distance) P-C4' energy: -96.527
flat angles C4'-P-C4' energy: -120.535
flat angles P-C4'-P energy: -76.816
tors. eta vs tors. theta energy: -66.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -966.502246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.502246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.502246 (E_RNA)
where:
Base-Base interactions energy: -567.286
where: short stacking energy: -299.968
Base-Backbone interact. energy: -4.024
local terms energy: -395.191518
where:
bonds (distance) C4'-P energy: -112.495
bonds (distance) P-C4' energy: -97.725
flat angles C4'-P-C4' energy: -91.510
flat angles P-C4'-P energy: -63.700
tors. eta vs tors. theta energy: -29.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2583.812566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.812566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.812566 (E_RNA)
where:
Base-Base interactions energy: -1828.933
where: short stacking energy: -734.492
Base-Backbone interact. energy: -0.663
local terms energy: -754.216887
where:
bonds (distance) C4'-P energy: -152.754
bonds (distance) P-C4' energy: -130.427
flat angles C4'-P-C4' energy: -174.488
flat angles P-C4'-P energy: -99.048
tors. eta vs tors. theta energy: -197.500
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: 302
Temperature: 0.950000
Total energy: -2484.733342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.733342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.733342 (E_RNA)
where:
Base-Base interactions energy: -1738.590
where: short stacking energy: -745.489
Base-Backbone interact. energy: 2.711
local terms energy: -748.853912
where:
bonds (distance) C4'-P energy: -138.857
bonds (distance) P-C4' energy: -130.517
flat angles C4'-P-C4' energy: -162.337
flat angles P-C4'-P energy: -104.051
tors. eta vs tors. theta energy: -213.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2390.933699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.933699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.933699 (E_RNA)
where:
Base-Base interactions energy: -1695.605
where: short stacking energy: -706.191
Base-Backbone interact. energy: -0.922
local terms energy: -694.406542
where:
bonds (distance) C4'-P energy: -123.317
bonds (distance) P-C4' energy: -137.524
flat angles C4'-P-C4' energy: -153.760
flat angles P-C4'-P energy: -79.767
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: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2378.349202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.349202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.349202 (E_RNA)
where:
Base-Base interactions energy: -1662.988
where: short stacking energy: -708.377
Base-Backbone interact. energy: -2.459
local terms energy: -712.901815
where:
bonds (distance) C4'-P energy: -137.420
bonds (distance) P-C4' energy: -119.255
flat angles C4'-P-C4' energy: -154.643
flat angles P-C4'-P energy: -91.243
tors. eta vs tors. theta energy: -210.341
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: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2089.161734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.161734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.161734 (E_RNA)
where:
Base-Base interactions energy: -1433.580
where: short stacking energy: -643.368
Base-Backbone interact. energy: 1.132
local terms energy: -656.714095
where:
bonds (distance) C4'-P energy: -101.222
bonds (distance) P-C4' energy: -118.552
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -106.303
tors. eta vs tors. theta energy: -176.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -2085.213517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.213517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.213517 (E_RNA)
where:
Base-Base interactions energy: -1464.396
where: short stacking energy: -627.138
Base-Backbone interact. energy: -1.136
local terms energy: -619.681257
where:
bonds (distance) C4'-P energy: -115.095
bonds (distance) P-C4' energy: -125.743
flat angles C4'-P-C4' energy: -128.848
flat angles P-C4'-P energy: -86.917
tors. eta vs tors. theta energy: -163.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1825.153817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.153817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.153817 (E_RNA)
where:
Base-Base interactions energy: -1238.461
where: short stacking energy: -527.521
Base-Backbone interact. energy: 1.847
local terms energy: -588.539597
where:
bonds (distance) C4'-P energy: -118.842
bonds (distance) P-C4' energy: -120.479
flat angles C4'-P-C4' energy: -139.514
flat angles P-C4'-P energy: -78.780
tors. eta vs tors. theta energy: -130.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1716.336910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.336910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.336910 (E_RNA)
where:
Base-Base interactions energy: -1145.750
where: short stacking energy: -507.944
Base-Backbone interact. energy: -2.160
local terms energy: -568.426614
where:
bonds (distance) C4'-P energy: -97.025
bonds (distance) P-C4' energy: -142.291
flat angles C4'-P-C4' energy: -120.882
flat angles P-C4'-P energy: -92.391
tors. eta vs tors. theta energy: -115.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1305.611128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.611128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.611128 (E_RNA)
where:
Base-Base interactions energy: -866.722
where: short stacking energy: -374.724
Base-Backbone interact. energy: -1.396
local terms energy: -437.493694
where:
bonds (distance) C4'-P energy: -104.808
bonds (distance) P-C4' energy: -110.766
flat angles C4'-P-C4' energy: -105.375
flat angles P-C4'-P energy: -65.269
tors. eta vs tors. theta energy: -51.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -958.281442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.281442 (E_RNA)
where:
Base-Base interactions energy: -540.628
where: short stacking energy: -265.171
Base-Backbone interact. energy: -0.968
local terms energy: -416.684701
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -109.089
flat angles C4'-P-C4' energy: -108.593
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -11.564
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: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2601.043043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.043043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.043043 (E_RNA)
where:
Base-Base interactions energy: -1846.003
where: short stacking energy: -767.037
Base-Backbone interact. energy: -1.743
local terms energy: -753.296944
where:
bonds (distance) C4'-P energy: -135.041
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -162.717
flat angles P-C4'-P energy: -105.423
tors. eta vs tors. theta energy: -206.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2522.631238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.631238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.631238 (E_RNA)
where:
Base-Base interactions energy: -1783.734
where: short stacking energy: -748.295
Base-Backbone interact. energy: -2.485
local terms energy: -736.412625
where:
bonds (distance) C4'-P energy: -132.221
bonds (distance) P-C4' energy: -125.916
flat angles C4'-P-C4' energy: -167.286
flat angles P-C4'-P energy: -105.777
tors. eta vs tors. theta energy: -205.213
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: 303
Temperature: 1.000000
Total energy: -2435.650400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.650400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.650400 (E_RNA)
where:
Base-Base interactions energy: -1736.146
where: short stacking energy: -715.531
Base-Backbone interact. energy: 0.730
local terms energy: -700.233615
where:
bonds (distance) C4'-P energy: -128.885
bonds (distance) P-C4' energy: -128.954
flat angles C4'-P-C4' energy: -139.165
flat angles P-C4'-P energy: -94.471
tors. eta vs tors. theta energy: -208.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2398.907069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.907069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.907069 (E_RNA)
where:
Base-Base interactions energy: -1680.376
where: short stacking energy: -714.228
Base-Backbone interact. energy: -0.628
local terms energy: -717.903175
where:
bonds (distance) C4'-P energy: -132.362
bonds (distance) P-C4' energy: -120.065
flat angles C4'-P-C4' energy: -159.133
flat angles P-C4'-P energy: -89.394
tors. eta vs tors. theta energy: -216.949
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: 5, replica: 10
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2083.954760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.954760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.954760 (E_RNA)
where:
Base-Base interactions energy: -1424.932
where: short stacking energy: -664.316
Base-Backbone interact. energy: 0.134
local terms energy: -659.157118
where:
bonds (distance) C4'-P energy: -113.457
bonds (distance) P-C4' energy: -123.705
flat angles C4'-P-C4' energy: -148.683
flat angles P-C4'-P energy: -81.903
tors. eta vs tors. theta energy: -191.410
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: 6
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -2049.204445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.204445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.204445 (E_RNA)
where:
Base-Base interactions energy: -1426.095
where: short stacking energy: -594.600
Base-Backbone interact. energy: -2.960
local terms energy: -620.149836
where:
bonds (distance) C4'-P energy: -114.445
bonds (distance) P-C4' energy: -119.109
flat angles C4'-P-C4' energy: -131.800
flat angles P-C4'-P energy: -87.102
tors. eta vs tors. theta energy: -167.694
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: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1813.682591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.682591 (E_RNA)
where:
Base-Base interactions energy: -1254.327
where: short stacking energy: -521.165
Base-Backbone interact. energy: -2.400
local terms energy: -556.955697
where:
bonds (distance) C4'-P energy: -108.980
bonds (distance) P-C4' energy: -118.013
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -79.329
tors. eta vs tors. theta energy: -126.573
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: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1697.135248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.135248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.135248 (E_RNA)
where:
Base-Base interactions energy: -1163.637
where: short stacking energy: -472.723
Base-Backbone interact. energy: 0.673
local terms energy: -534.171041
where:
bonds (distance) C4'-P energy: -123.805
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -120.538
flat angles P-C4'-P energy: -87.092
tors. eta vs tors. theta energy: -98.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1279.113455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.113455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.113455 (E_RNA)
where:
Base-Base interactions energy: -821.471
where: short stacking energy: -364.753
Base-Backbone interact. energy: 3.734
local terms energy: -461.376441
where:
bonds (distance) C4'-P energy: -102.651
bonds (distance) P-C4' energy: -111.480
flat angles C4'-P-C4' energy: -117.376
flat angles P-C4'-P energy: -73.462
tors. eta vs tors. theta energy: -56.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -976.030605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.030605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.030605 (E_RNA)
where:
Base-Base interactions energy: -587.761
where: short stacking energy: -280.396
Base-Backbone interact. energy: 8.645
local terms energy: -396.914485
where:
bonds (distance) C4'-P energy: -99.660
bonds (distance) P-C4' energy: -115.019
flat angles C4'-P-C4' energy: -100.350
flat angles P-C4'-P energy: -61.920
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2578.798728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.798728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.798728 (E_RNA)
where:
Base-Base interactions energy: -1817.285
where: short stacking energy: -764.732
Base-Backbone interact. energy: -2.285
local terms energy: -759.229237
where:
bonds (distance) C4'-P energy: -131.758
bonds (distance) P-C4' energy: -150.297
flat angles C4'-P-C4' energy: -167.448
flat angles P-C4'-P energy: -96.932
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: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2497.228046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.228046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.228046 (E_RNA)
where:
Base-Base interactions energy: -1771.539
where: short stacking energy: -722.416
Base-Backbone interact. energy: -3.236
local terms energy: -722.452187
where:
bonds (distance) C4'-P energy: -133.266
bonds (distance) P-C4' energy: -134.181
flat angles C4'-P-C4' energy: -146.515
flat angles P-C4'-P energy: -101.814
tors. eta vs tors. theta energy: -206.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2420.192855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.192855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.192855 (E_RNA)
where:
Base-Base interactions energy: -1713.973
where: short stacking energy: -703.058
Base-Backbone interact. energy: 0.419
local terms energy: -706.639054
where:
bonds (distance) C4'-P energy: -129.925
bonds (distance) P-C4' energy: -133.201
flat angles C4'-P-C4' energy: -142.278
flat angles P-C4'-P energy: -103.231
tors. eta vs tors. theta energy: -198.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2385.447022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.447022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.447022 (E_RNA)
where:
Base-Base interactions energy: -1654.166
where: short stacking energy: -710.750
Base-Backbone interact. energy: 2.155
local terms energy: -733.436474
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -138.670
flat angles C4'-P-C4' energy: -147.355
flat angles P-C4'-P energy: -101.894
tors. eta vs tors. theta energy: -213.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2144.118062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.118062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.118062 (E_RNA)
where:
Base-Base interactions energy: -1498.893
where: short stacking energy: -657.971
Base-Backbone interact. energy: -2.820
local terms energy: -642.405634
where:
bonds (distance) C4'-P energy: -101.038
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -138.762
flat angles P-C4'-P energy: -85.322
tors. eta vs tors. theta energy: -187.419
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: 304
Temperature: 1.150000
Total energy: -2062.614256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.614256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.614256 (E_RNA)
where:
Base-Base interactions energy: -1390.165
where: short stacking energy: -638.473
Base-Backbone interact. energy: -2.102
local terms energy: -670.346762
where:
bonds (distance) C4'-P energy: -129.401
bonds (distance) P-C4' energy: -123.059
flat angles C4'-P-C4' energy: -143.300
flat angles P-C4'-P energy: -87.244
tors. eta vs tors. theta energy: -187.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1814.526286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.526286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.526286 (E_RNA)
where:
Base-Base interactions energy: -1281.189
where: short stacking energy: -536.247
Base-Backbone interact. energy: 3.020
local terms energy: -536.357543
where:
bonds (distance) C4'-P energy: -109.461
bonds (distance) P-C4' energy: -114.612
flat angles C4'-P-C4' energy: -113.732
flat angles P-C4'-P energy: -85.321
tors. eta vs tors. theta energy: -113.233
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: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1693.269399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.269399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.269399 (E_RNA)
where:
Base-Base interactions energy: -1177.893
where: short stacking energy: -509.394
Base-Backbone interact. energy: -2.417
local terms energy: -512.959149
where:
bonds (distance) C4'-P energy: -97.855
bonds (distance) P-C4' energy: -115.194
flat angles C4'-P-C4' energy: -124.208
flat angles P-C4'-P energy: -66.239
tors. eta vs tors. theta energy: -109.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1297.606680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.606680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.606680 (E_RNA)
where:
Base-Base interactions energy: -819.571
where: short stacking energy: -364.046
Base-Backbone interact. energy: -2.389
local terms energy: -475.646773
where:
bonds (distance) C4'-P energy: -106.435
bonds (distance) P-C4' energy: -112.095
flat angles C4'-P-C4' energy: -131.872
flat angles P-C4'-P energy: -67.656
tors. eta vs tors. theta energy: -57.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -986.950137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.950137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.950137 (E_RNA)
where:
Base-Base interactions energy: -568.082
where: short stacking energy: -298.569
Base-Backbone interact. energy: 1.340
local terms energy: -420.208789
where:
bonds (distance) C4'-P energy: -112.431
bonds (distance) P-C4' energy: -129.902
flat angles C4'-P-C4' energy: -97.501
flat angles P-C4'-P energy: -54.314
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2589.473193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.473193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.473193 (E_RNA)
where:
Base-Base interactions energy: -1821.098
where: short stacking energy: -750.096
Base-Backbone interact. energy: -3.712
local terms energy: -764.663231
where:
bonds (distance) C4'-P energy: -143.529
bonds (distance) P-C4' energy: -141.096
flat angles C4'-P-C4' energy: -171.280
flat angles P-C4'-P energy: -103.969
tors. eta vs tors. theta energy: -204.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2483.521555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.521555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.521555 (E_RNA)
where:
Base-Base interactions energy: -1747.114
where: short stacking energy: -728.444
Base-Backbone interact. energy: -2.331
local terms energy: -734.076809
where:
bonds (distance) C4'-P energy: -129.038
bonds (distance) P-C4' energy: -131.493
flat angles C4'-P-C4' energy: -155.485
flat angles P-C4'-P energy: -111.256
tors. eta vs tors. theta energy: -206.806
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: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2431.773188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.773188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.773188 (E_RNA)
where:
Base-Base interactions energy: -1707.069
where: short stacking energy: -706.634
Base-Backbone interact. energy: -4.376
local terms energy: -720.327843
where:
bonds (distance) C4'-P energy: -135.587
bonds (distance) P-C4' energy: -131.813
flat angles C4'-P-C4' energy: -149.909
flat angles P-C4'-P energy: -103.191
tors. eta vs tors. theta energy: -199.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2380.600412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.600412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.600412 (E_RNA)
where:
Base-Base interactions energy: -1682.925
where: short stacking energy: -726.403
Base-Backbone interact. energy: -1.008
local terms energy: -696.666740
where:
bonds (distance) C4'-P energy: -123.241
bonds (distance) P-C4' energy: -129.460
flat angles C4'-P-C4' energy: -158.163
flat angles P-C4'-P energy: -85.705
tors. eta vs tors. theta energy: -200.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2138.988714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.988714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.988714 (E_RNA)
where:
Base-Base interactions energy: -1449.169
where: short stacking energy: -611.526
Base-Backbone interact. energy: -2.488
local terms energy: -687.331112
where:
bonds (distance) C4'-P energy: -135.012
bonds (distance) P-C4' energy: -147.730
flat angles C4'-P-C4' energy: -139.253
flat angles P-C4'-P energy: -88.402
tors. eta vs tors. theta energy: -176.934
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: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -2036.610662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.610662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.610662 (E_RNA)
where:
Base-Base interactions energy: -1370.566
where: short stacking energy: -599.536
Base-Backbone interact. energy: 1.322
local terms energy: -667.367161
where:
bonds (distance) C4'-P energy: -121.967
bonds (distance) P-C4' energy: -128.024
flat angles C4'-P-C4' energy: -146.173
flat angles P-C4'-P energy: -92.766
tors. eta vs tors. theta energy: -178.437
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: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1806.200246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.200246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.200246 (E_RNA)
where:
Base-Base interactions energy: -1262.344
where: short stacking energy: -536.528
Base-Backbone interact. energy: 0.902
local terms energy: -544.758638
where:
bonds (distance) C4'-P energy: -95.168
bonds (distance) P-C4' energy: -111.050
flat angles C4'-P-C4' energy: -129.146
flat angles P-C4'-P energy: -92.611
tors. eta vs tors. theta energy: -116.784
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: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1703.219760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.219760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.219760 (E_RNA)
where:
Base-Base interactions energy: -1184.965
where: short stacking energy: -498.994
Base-Backbone interact. energy: 1.548
local terms energy: -519.802774
where:
bonds (distance) C4'-P energy: -109.971
bonds (distance) P-C4' energy: -96.408
flat angles C4'-P-C4' energy: -140.521
flat angles P-C4'-P energy: -76.719
tors. eta vs tors. theta energy: -96.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1327.782159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.782159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.782159 (E_RNA)
where:
Base-Base interactions energy: -864.554
where: short stacking energy: -367.888
Base-Backbone interact. energy: -1.534
local terms energy: -461.693559
where:
bonds (distance) C4'-P energy: -106.455
bonds (distance) P-C4' energy: -113.766
flat angles C4'-P-C4' energy: -113.830
flat angles P-C4'-P energy: -62.631
tors. eta vs tors. theta energy: -65.012
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: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -1021.672033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.672033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.672033 (E_RNA)
where:
Base-Base interactions energy: -616.387
where: short stacking energy: -318.623
Base-Backbone interact. energy: 0.438
local terms energy: -405.723145
where:
bonds (distance) C4'-P energy: -96.316
bonds (distance) P-C4' energy: -121.208
flat angles C4'-P-C4' energy: -97.506
flat angles P-C4'-P energy: -70.817
tors. eta vs tors. theta energy: -19.875
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2547.553410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.553410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.553410 (E_RNA)
where:
Base-Base interactions energy: -1821.086
where: short stacking energy: -763.991
Base-Backbone interact. energy: -4.432
local terms energy: -722.035224
where:
bonds (distance) C4'-P energy: -116.217
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -159.662
flat angles P-C4'-P energy: -98.403
tors. eta vs tors. theta energy: -218.802
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: 2, replica: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2530.267545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.267545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.267545 (E_RNA)
where:
Base-Base interactions energy: -1800.984
where: short stacking energy: -761.779
Base-Backbone interact. energy: -3.901
local terms energy: -725.382105
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -139.976
flat angles C4'-P-C4' energy: -152.850
flat angles P-C4'-P energy: -100.500
tors. eta vs tors. theta energy: -203.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2442.923395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.923395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.923395 (E_RNA)
where:
Base-Base interactions energy: -1745.983
where: short stacking energy: -749.627
Base-Backbone interact. energy: -1.266
local terms energy: -695.673509
where:
bonds (distance) C4'-P energy: -116.467
bonds (distance) P-C4' energy: -134.538
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -86.914
tors. eta vs tors. theta energy: -210.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2335.748531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.748531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.748531 (E_RNA)
where:
Base-Base interactions energy: -1647.485
where: short stacking energy: -692.186
Base-Backbone interact. energy: 1.803
local terms energy: -690.066660
where:
bonds (distance) C4'-P energy: -113.492
bonds (distance) P-C4' energy: -128.096
flat angles C4'-P-C4' energy: -149.348
flat angles P-C4'-P energy: -97.954
tors. eta vs tors. theta energy: -201.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2136.514602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.514602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.514602 (E_RNA)
where:
Base-Base interactions energy: -1454.760
where: short stacking energy: -618.522
Base-Backbone interact. energy: 2.193
local terms energy: -683.947698
where:
bonds (distance) C4'-P energy: -137.182
bonds (distance) P-C4' energy: -127.117
flat angles C4'-P-C4' energy: -145.453
flat angles P-C4'-P energy: -93.531
tors. eta vs tors. theta energy: -180.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -2069.298567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.298567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.298567 (E_RNA)
where:
Base-Base interactions energy: -1417.047
where: short stacking energy: -627.480
Base-Backbone interact. energy: -0.647
local terms energy: -651.604268
where:
bonds (distance) C4'-P energy: -130.823
bonds (distance) P-C4' energy: -107.578
flat angles C4'-P-C4' energy: -142.055
flat angles P-C4'-P energy: -91.026
tors. eta vs tors. theta energy: -180.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1818.813253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.813253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.813253 (E_RNA)
where:
Base-Base interactions energy: -1209.210
where: short stacking energy: -533.044
Base-Backbone interact. energy: 1.449
local terms energy: -611.052071
where:
bonds (distance) C4'-P energy: -114.256
bonds (distance) P-C4' energy: -134.638
flat angles C4'-P-C4' energy: -130.169
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -144.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1694.606718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.606718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.606718 (E_RNA)
where:
Base-Base interactions energy: -1140.184
where: short stacking energy: -475.917
Base-Backbone interact. energy: 1.228
local terms energy: -555.650381
where:
bonds (distance) C4'-P energy: -125.909
bonds (distance) P-C4' energy: -110.126
flat angles C4'-P-C4' energy: -126.223
flat angles P-C4'-P energy: -82.342
tors. eta vs tors. theta energy: -111.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1342.638869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.638869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.638869 (E_RNA)
where:
Base-Base interactions energy: -870.526
where: short stacking energy: -404.004
Base-Backbone interact. energy: -0.631
local terms energy: -471.482222
where:
bonds (distance) C4'-P energy: -109.666
bonds (distance) P-C4' energy: -117.379
flat angles C4'-P-C4' energy: -110.793
flat angles P-C4'-P energy: -63.664
tors. eta vs tors. theta energy: -69.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -1030.739580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.739580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.739580 (E_RNA)
where:
Base-Base interactions energy: -659.523
where: short stacking energy: -317.440
Base-Backbone interact. energy: 0.909
local terms energy: -372.126009
where:
bonds (distance) C4'-P energy: -93.671
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -96.254
flat angles P-C4'-P energy: -56.975
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2549.968869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.968869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.968869 (E_RNA)
where:
Base-Base interactions energy: -1818.211
where: short stacking energy: -745.823
Base-Backbone interact. energy: -2.620
local terms energy: -729.137919
where:
bonds (distance) C4'-P energy: -131.928
bonds (distance) P-C4' energy: -121.521
flat angles C4'-P-C4' energy: -158.183
flat angles P-C4'-P energy: -113.760
tors. eta vs tors. theta energy: -203.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2498.288814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.288814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.288814 (E_RNA)
where:
Base-Base interactions energy: -1749.528
where: short stacking energy: -720.051
Base-Backbone interact. energy: 6.110
local terms energy: -754.870519
where:
bonds (distance) C4'-P energy: -125.195
bonds (distance) P-C4' energy: -148.513
flat angles C4'-P-C4' energy: -162.829
flat angles P-C4'-P energy: -115.174
tors. eta vs tors. theta energy: -203.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2399.209584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.209584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.209584 (E_RNA)
where:
Base-Base interactions energy: -1694.242
where: short stacking energy: -689.846
Base-Backbone interact. energy: -0.862
local terms energy: -704.105283
where:
bonds (distance) C4'-P energy: -130.812
bonds (distance) P-C4' energy: -129.852
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -99.691
tors. eta vs tors. theta energy: -192.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2345.555260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.555260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.555260 (E_RNA)
where:
Base-Base interactions energy: -1645.990
where: short stacking energy: -699.549
Base-Backbone interact. energy: -2.077
local terms energy: -697.488368
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -121.169
flat angles C4'-P-C4' energy: -149.262
flat angles P-C4'-P energy: -101.637
tors. eta vs tors. theta energy: -200.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2162.933278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.933278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.933278 (E_RNA)
where:
Base-Base interactions energy: -1526.416
where: short stacking energy: -675.991
Base-Backbone interact. energy: -1.390
local terms energy: -635.127639
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -119.749
flat angles C4'-P-C4' energy: -139.641
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -182.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -2133.295712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.295712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.295712 (E_RNA)
where:
Base-Base interactions energy: -1457.468
where: short stacking energy: -666.371
Base-Backbone interact. energy: -0.476
local terms energy: -675.351992
where:
bonds (distance) C4'-P energy: -129.366
bonds (distance) P-C4' energy: -130.000
flat angles C4'-P-C4' energy: -143.381
flat angles P-C4'-P energy: -93.088
tors. eta vs tors. theta energy: -179.517
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: 7, replica: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1824.354806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.354806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.354806 (E_RNA)
where:
Base-Base interactions energy: -1285.936
where: short stacking energy: -546.659
Base-Backbone interact. energy: 0.522
local terms energy: -538.940333
where:
bonds (distance) C4'-P energy: -101.129
bonds (distance) P-C4' energy: -118.617
flat angles C4'-P-C4' energy: -121.243
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -115.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1683.610253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.610253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.610253 (E_RNA)
where:
Base-Base interactions energy: -1158.688
where: short stacking energy: -464.235
Base-Backbone interact. energy: -2.634
local terms energy: -522.288462
where:
bonds (distance) C4'-P energy: -115.233
bonds (distance) P-C4' energy: -108.572
flat angles C4'-P-C4' energy: -121.420
flat angles P-C4'-P energy: -72.015
tors. eta vs tors. theta energy: -105.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1368.271194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.271194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.271194 (E_RNA)
where:
Base-Base interactions energy: -860.619
where: short stacking energy: -367.932
Base-Backbone interact. energy: 3.072
local terms energy: -510.724252
where:
bonds (distance) C4'-P energy: -114.519
bonds (distance) P-C4' energy: -113.073
flat angles C4'-P-C4' energy: -128.902
flat angles P-C4'-P energy: -79.298
tors. eta vs tors. theta energy: -74.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -1008.693780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.693780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.693780 (E_RNA)
where:
Base-Base interactions energy: -649.536
where: short stacking energy: -309.117
Base-Backbone interact. energy: 6.917
local terms energy: -366.075367
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -93.758
flat angles P-C4'-P energy: -57.044
tors. eta vs tors. theta energy: -19.054
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2549.011639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.011639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.011639 (E_RNA)
where:
Base-Base interactions energy: -1824.866
where: short stacking energy: -751.094
Base-Backbone interact. energy: -3.049
local terms energy: -721.095946
where:
bonds (distance) C4'-P energy: -120.545
bonds (distance) P-C4' energy: -132.095
flat angles C4'-P-C4' energy: -169.612
flat angles P-C4'-P energy: -102.848
tors. eta vs tors. theta energy: -195.997
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: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2486.578652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.578652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.578652 (E_RNA)
where:
Base-Base interactions energy: -1763.997
where: short stacking energy: -745.029
Base-Backbone interact. energy: -3.188
local terms energy: -719.393828
where:
bonds (distance) C4'-P energy: -144.922
bonds (distance) P-C4' energy: -136.255
flat angles C4'-P-C4' energy: -160.743
flat angles P-C4'-P energy: -82.621
tors. eta vs tors. theta energy: -194.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2437.837321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.837321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.837321 (E_RNA)
where:
Base-Base interactions energy: -1744.412
where: short stacking energy: -740.953
Base-Backbone interact. energy: -1.807
local terms energy: -691.618511
where:
bonds (distance) C4'-P energy: -128.400
bonds (distance) P-C4' energy: -139.570
flat angles C4'-P-C4' energy: -138.660
flat angles P-C4'-P energy: -81.455
tors. eta vs tors. theta energy: -203.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2313.851889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.851889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.851889 (E_RNA)
where:
Base-Base interactions energy: -1632.348
where: short stacking energy: -703.099
Base-Backbone interact. energy: -1.248
local terms energy: -680.255638
where:
bonds (distance) C4'-P energy: -121.029
bonds (distance) P-C4' energy: -117.167
flat angles C4'-P-C4' energy: -143.460
flat angles P-C4'-P energy: -105.039
tors. eta vs tors. theta energy: -193.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2204.321841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.321841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.321841 (E_RNA)
where:
Base-Base interactions energy: -1516.069
where: short stacking energy: -686.349
Base-Backbone interact. energy: 1.801
local terms energy: -690.054424
where:
bonds (distance) C4'-P energy: -130.373
bonds (distance) P-C4' energy: -123.643
flat angles C4'-P-C4' energy: -150.385
flat angles P-C4'-P energy: -90.443
tors. eta vs tors. theta energy: -195.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -2047.525480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.525480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.525480 (E_RNA)
where:
Base-Base interactions energy: -1401.035
where: short stacking energy: -622.521
Base-Backbone interact. energy: -1.184
local terms energy: -645.306167
where:
bonds (distance) C4'-P energy: -115.931
bonds (distance) P-C4' energy: -116.133
flat angles C4'-P-C4' energy: -154.801
flat angles P-C4'-P energy: -80.573
tors. eta vs tors. theta energy: -177.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1799.461848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.461848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.461848 (E_RNA)
where:
Base-Base interactions energy: -1236.813
where: short stacking energy: -529.329
Base-Backbone interact. energy: -0.396
local terms energy: -562.252696
where:
bonds (distance) C4'-P energy: -114.680
bonds (distance) P-C4' energy: -123.101
flat angles C4'-P-C4' energy: -138.427
flat angles P-C4'-P energy: -71.682
tors. eta vs tors. theta energy: -114.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1734.438113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.438113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.438113 (E_RNA)
where:
Base-Base interactions energy: -1243.948
where: short stacking energy: -500.000
Base-Backbone interact. energy: 4.737
local terms energy: -495.226957
where:
bonds (distance) C4'-P energy: -79.765
bonds (distance) P-C4' energy: -106.655
flat angles C4'-P-C4' energy: -131.046
flat angles P-C4'-P energy: -63.539
tors. eta vs tors. theta energy: -114.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1386.302649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.302649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.302649 (E_RNA)
where:
Base-Base interactions energy: -898.422
where: short stacking energy: -388.796
Base-Backbone interact. energy: 3.452
local terms energy: -491.332627
where:
bonds (distance) C4'-P energy: -127.864
bonds (distance) P-C4' energy: -117.705
flat angles C4'-P-C4' energy: -100.734
flat angles P-C4'-P energy: -74.913
tors. eta vs tors. theta energy: -70.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -1023.485561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.485561 (E_RNA)
where:
Base-Base interactions energy: -614.789
where: short stacking energy: -305.986
Base-Backbone interact. energy: -2.638
local terms energy: -406.059131
where:
bonds (distance) C4'-P energy: -105.255
bonds (distance) P-C4' energy: -118.183
flat angles C4'-P-C4' energy: -93.136
flat angles P-C4'-P energy: -56.175
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2510.418853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.418853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.418853 (E_RNA)
where:
Base-Base interactions energy: -1782.014
where: short stacking energy: -729.510
Base-Backbone interact. energy: -3.045
local terms energy: -725.360217
where:
bonds (distance) C4'-P energy: -147.382
bonds (distance) P-C4' energy: -124.960
flat angles C4'-P-C4' energy: -150.286
flat angles P-C4'-P energy: -95.500
tors. eta vs tors. theta energy: -207.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2520.992431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.992431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.992431 (E_RNA)
where:
Base-Base interactions energy: -1784.471
where: short stacking energy: -748.029
Base-Backbone interact. energy: -1.361
local terms energy: -735.161109
where:
bonds (distance) C4'-P energy: -137.472
bonds (distance) P-C4' energy: -134.655
flat angles C4'-P-C4' energy: -154.254
flat angles P-C4'-P energy: -101.380
tors. eta vs tors. theta energy: -207.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2461.195489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.195489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.195489 (E_RNA)
where:
Base-Base interactions energy: -1732.652
where: short stacking energy: -725.046
Base-Backbone interact. energy: -0.636
local terms energy: -727.906974
where:
bonds (distance) C4'-P energy: -129.397
bonds (distance) P-C4' energy: -127.622
flat angles C4'-P-C4' energy: -158.331
flat angles P-C4'-P energy: -108.283
tors. eta vs tors. theta energy: -204.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2344.461053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.461053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.461053 (E_RNA)
where:
Base-Base interactions energy: -1653.731
where: short stacking energy: -714.842
Base-Backbone interact. energy: 1.264
local terms energy: -691.994134
where:
bonds (distance) C4'-P energy: -127.017
bonds (distance) P-C4' energy: -113.921
flat angles C4'-P-C4' energy: -159.055
flat angles P-C4'-P energy: -103.788
tors. eta vs tors. theta energy: -188.213
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: 6
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2166.814908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.814908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.814908 (E_RNA)
where:
Base-Base interactions energy: -1525.934
where: short stacking energy: -658.860
Base-Backbone interact. energy: 0.057
local terms energy: -640.937251
where:
bonds (distance) C4'-P energy: -119.020
bonds (distance) P-C4' energy: -134.746
flat angles C4'-P-C4' energy: -122.727
flat angles P-C4'-P energy: -91.365
tors. eta vs tors. theta energy: -173.079
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: 309
Temperature: 1.150000
Total energy: -2026.179392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.179392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.179392 (E_RNA)
where:
Base-Base interactions energy: -1382.350
where: short stacking energy: -605.772
Base-Backbone interact. energy: -1.373
local terms energy: -642.456257
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -129.879
flat angles C4'-P-C4' energy: -146.671
flat angles P-C4'-P energy: -89.980
tors. eta vs tors. theta energy: -175.670
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: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1881.373676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.373676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.373676 (E_RNA)
where:
Base-Base interactions energy: -1290.463
where: short stacking energy: -538.118
Base-Backbone interact. energy: 1.641
local terms energy: -592.552012
where:
bonds (distance) C4'-P energy: -105.258
bonds (distance) P-C4' energy: -125.756
flat angles C4'-P-C4' energy: -142.243
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -136.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1745.359156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.359156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.359156 (E_RNA)
where:
Base-Base interactions energy: -1200.908
where: short stacking energy: -501.010
Base-Backbone interact. energy: -1.946
local terms energy: -542.505350
where:
bonds (distance) C4'-P energy: -112.741
bonds (distance) P-C4' energy: -119.881
flat angles C4'-P-C4' energy: -126.446
flat angles P-C4'-P energy: -73.310
tors. eta vs tors. theta energy: -110.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1385.446511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.446511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.446511 (E_RNA)
where:
Base-Base interactions energy: -921.197
where: short stacking energy: -387.880
Base-Backbone interact. energy: -4.273
local terms energy: -459.976546
where:
bonds (distance) C4'-P energy: -116.665
bonds (distance) P-C4' energy: -115.440
flat angles C4'-P-C4' energy: -97.089
flat angles P-C4'-P energy: -64.217
tors. eta vs tors. theta energy: -66.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -1005.575508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.575508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.575508 (E_RNA)
where:
Base-Base interactions energy: -608.705
where: short stacking energy: -302.389
Base-Backbone interact. energy: 0.967
local terms energy: -397.837522
where:
bonds (distance) C4'-P energy: -116.028
bonds (distance) P-C4' energy: -117.188
flat angles C4'-P-C4' energy: -95.525
flat angles P-C4'-P energy: -47.244
tors. eta vs tors. theta energy: -21.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2523.023482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.023482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.023482 (E_RNA)
where:
Base-Base interactions energy: -1777.038
where: short stacking energy: -752.129
Base-Backbone interact. energy: -3.037
local terms energy: -742.948053
where:
bonds (distance) C4'-P energy: -134.202
bonds (distance) P-C4' energy: -146.860
flat angles C4'-P-C4' energy: -153.882
flat angles P-C4'-P energy: -101.396
tors. eta vs tors. theta energy: -206.608
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: 310
Temperature: 0.950000
Total energy: -2495.327095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.327095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.327095 (E_RNA)
where:
Base-Base interactions energy: -1788.721
where: short stacking energy: -746.093
Base-Backbone interact. energy: -2.425
local terms energy: -704.180562
where:
bonds (distance) C4'-P energy: -136.806
bonds (distance) P-C4' energy: -129.368
flat angles C4'-P-C4' energy: -140.656
flat angles P-C4'-P energy: -101.375
tors. eta vs tors. theta energy: -195.975
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2463.836370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.836370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.836370 (E_RNA)
where:
Base-Base interactions energy: -1747.671
where: short stacking energy: -724.831
Base-Backbone interact. energy: 6.471
local terms energy: -722.636043
where:
bonds (distance) C4'-P energy: -142.454
bonds (distance) P-C4' energy: -135.409
flat angles C4'-P-C4' energy: -159.122
flat angles P-C4'-P energy: -85.654
tors. eta vs tors. theta energy: -199.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2332.407601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.407601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.407601 (E_RNA)
where:
Base-Base interactions energy: -1664.945
where: short stacking energy: -714.350
Base-Backbone interact. energy: 1.516
local terms energy: -668.978490
where:
bonds (distance) C4'-P energy: -128.279
bonds (distance) P-C4' energy: -97.733
flat angles C4'-P-C4' energy: -151.067
flat angles P-C4'-P energy: -94.228
tors. eta vs tors. theta energy: -197.671
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: 5, replica: 6
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2174.397177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.397177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.397177 (E_RNA)
where:
Base-Base interactions energy: -1519.886
where: short stacking energy: -665.984
Base-Backbone interact. energy: 0.205
local terms energy: -654.715607
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -132.985
flat angles C4'-P-C4' energy: -134.337
flat angles P-C4'-P energy: -86.751
tors. eta vs tors. theta energy: -189.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -2015.385213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.385213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.385213 (E_RNA)
where:
Base-Base interactions energy: -1378.274
where: short stacking energy: -630.455
Base-Backbone interact. energy: 1.596
local terms energy: -638.707429
where:
bonds (distance) C4'-P energy: -115.902
bonds (distance) P-C4' energy: -129.982
flat angles C4'-P-C4' energy: -131.676
flat angles P-C4'-P energy: -95.774
tors. eta vs tors. theta energy: -165.374
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: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1790.337117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.337117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.337117 (E_RNA)
where:
Base-Base interactions energy: -1247.889
where: short stacking energy: -522.242
Base-Backbone interact. energy: -1.824
local terms energy: -540.623453
where:
bonds (distance) C4'-P energy: -107.240
bonds (distance) P-C4' energy: -130.512
flat angles C4'-P-C4' energy: -112.989
flat angles P-C4'-P energy: -74.256
tors. eta vs tors. theta energy: -115.627
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: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1684.905700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.905700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.905700 (E_RNA)
where:
Base-Base interactions energy: -1138.258
where: short stacking energy: -486.450
Base-Backbone interact. energy: -1.693
local terms energy: -544.954906
where:
bonds (distance) C4'-P energy: -113.803
bonds (distance) P-C4' energy: -111.521
flat angles C4'-P-C4' energy: -125.733
flat angles P-C4'-P energy: -79.284
tors. eta vs tors. theta energy: -114.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1331.066513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.066513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.066513 (E_RNA)
where:
Base-Base interactions energy: -861.380
where: short stacking energy: -385.839
Base-Backbone interact. energy: 0.533
local terms energy: -470.219531
where:
bonds (distance) C4'-P energy: -107.055
bonds (distance) P-C4' energy: -113.433
flat angles C4'-P-C4' energy: -112.634
flat angles P-C4'-P energy: -64.565
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: 10, replica: 8
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -1041.515439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.515439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.515439 (E_RNA)
where:
Base-Base interactions energy: -625.705
where: short stacking energy: -297.309
Base-Backbone interact. energy: 2.585
local terms energy: -418.396122
where:
bonds (distance) C4'-P energy: -94.223
bonds (distance) P-C4' energy: -104.004
flat angles C4'-P-C4' energy: -103.652
flat angles P-C4'-P energy: -73.534
tors. eta vs tors. theta energy: -42.983
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: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2513.292141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.292141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.292141 (E_RNA)
where:
Base-Base interactions energy: -1778.989
where: short stacking energy: -745.621
Base-Backbone interact. energy: -3.447
local terms energy: -730.856249
where:
bonds (distance) C4'-P energy: -132.565
bonds (distance) P-C4' energy: -134.275
flat angles C4'-P-C4' energy: -146.283
flat angles P-C4'-P energy: -111.006
tors. eta vs tors. theta energy: -206.727
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: 311
Temperature: 0.950000
Total energy: -2504.720083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2504.720083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2504.720083 (E_RNA)
where:
Base-Base interactions energy: -1802.489
where: short stacking energy: -759.461
Base-Backbone interact. energy: -4.116
local terms energy: -698.115093
where:
bonds (distance) C4'-P energy: -121.101
bonds (distance) P-C4' energy: -135.803
flat angles C4'-P-C4' energy: -149.926
flat angles P-C4'-P energy: -92.321
tors. eta vs tors. theta energy: -198.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2476.387404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.387404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.387404 (E_RNA)
where:
Base-Base interactions energy: -1755.559
where: short stacking energy: -745.983
Base-Backbone interact. energy: -2.143
local terms energy: -718.685488
where:
bonds (distance) C4'-P energy: -111.262
bonds (distance) P-C4' energy: -135.846
flat angles C4'-P-C4' energy: -162.080
flat angles P-C4'-P energy: -102.319
tors. eta vs tors. theta energy: -207.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2343.017756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.017756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.017756 (E_RNA)
where:
Base-Base interactions energy: -1632.335
where: short stacking energy: -707.679
Base-Backbone interact. energy: -0.196
local terms energy: -710.486680
where:
bonds (distance) C4'-P energy: -126.554
bonds (distance) P-C4' energy: -131.759
flat angles C4'-P-C4' energy: -148.300
flat angles P-C4'-P energy: -100.292
tors. eta vs tors. theta energy: -203.581
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: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2191.736798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.736798 (E_RNA)
where:
Base-Base interactions energy: -1543.888
where: short stacking energy: -658.682
Base-Backbone interact. energy: -1.678
local terms energy: -646.170974
where:
bonds (distance) C4'-P energy: -105.997
bonds (distance) P-C4' energy: -124.611
flat angles C4'-P-C4' energy: -145.384
flat angles P-C4'-P energy: -81.621
tors. eta vs tors. theta energy: -188.558
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: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -2014.870941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.870941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.870941 (E_RNA)
where:
Base-Base interactions energy: -1387.661
where: short stacking energy: -609.493
Base-Backbone interact. energy: 2.003
local terms energy: -629.213483
where:
bonds (distance) C4'-P energy: -128.423
bonds (distance) P-C4' energy: -124.261
flat angles C4'-P-C4' energy: -123.812
flat angles P-C4'-P energy: -88.956
tors. eta vs tors. theta energy: -163.760
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: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1760.856021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.856021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.856021 (E_RNA)
where:
Base-Base interactions energy: -1199.442
where: short stacking energy: -511.855
Base-Backbone interact. energy: 0.630
local terms energy: -562.043980
where:
bonds (distance) C4'-P energy: -120.068
bonds (distance) P-C4' energy: -98.619
flat angles C4'-P-C4' energy: -130.835
flat angles P-C4'-P energy: -95.994
tors. eta vs tors. theta energy: -116.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1715.601312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.601312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.601312 (E_RNA)
where:
Base-Base interactions energy: -1217.969
where: short stacking energy: -534.434
Base-Backbone interact. energy: -3.528
local terms energy: -494.104605
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -126.129
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: -111.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1347.886239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.886239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.886239 (E_RNA)
where:
Base-Base interactions energy: -871.687
where: short stacking energy: -414.905
Base-Backbone interact. energy: -2.744
local terms energy: -473.455038
where:
bonds (distance) C4'-P energy: -102.176
bonds (distance) P-C4' energy: -119.511
flat angles C4'-P-C4' energy: -117.012
flat angles P-C4'-P energy: -63.977
tors. eta vs tors. theta energy: -70.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -1024.461071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.461071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.461071 (E_RNA)
where:
Base-Base interactions energy: -618.264
where: short stacking energy: -298.482
Base-Backbone interact. energy: 0.300
local terms energy: -406.497264
where:
bonds (distance) C4'-P energy: -97.473
bonds (distance) P-C4' energy: -118.276
flat angles C4'-P-C4' energy: -105.397
flat angles P-C4'-P energy: -53.029
tors. eta vs tors. theta energy: -32.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2567.461985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.461985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.461985 (E_RNA)
where:
Base-Base interactions energy: -1828.997
where: short stacking energy: -752.739
Base-Backbone interact. energy: -3.826
local terms energy: -734.639013
where:
bonds (distance) C4'-P energy: -128.944
bonds (distance) P-C4' energy: -148.480
flat angles C4'-P-C4' energy: -153.781
flat angles P-C4'-P energy: -102.450
tors. eta vs tors. theta energy: -200.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2481.289982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.289982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.289982 (E_RNA)
where:
Base-Base interactions energy: -1755.641
where: short stacking energy: -740.034
Base-Backbone interact. energy: 3.328
local terms energy: -728.976996
where:
bonds (distance) C4'-P energy: -138.883
bonds (distance) P-C4' energy: -137.722
flat angles C4'-P-C4' energy: -150.694
flat angles P-C4'-P energy: -92.233
tors. eta vs tors. theta energy: -209.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2386.800963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.800963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.800963 (E_RNA)
where:
Base-Base interactions energy: -1674.847
where: short stacking energy: -711.149
Base-Backbone interact. energy: -3.611
local terms energy: -708.343024
where:
bonds (distance) C4'-P energy: -119.326
bonds (distance) P-C4' energy: -137.300
flat angles C4'-P-C4' energy: -164.657
flat angles P-C4'-P energy: -96.519
tors. eta vs tors. theta energy: -190.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2445.502394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.502394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.502394 (E_RNA)
where:
Base-Base interactions energy: -1732.761
where: short stacking energy: -712.695
Base-Backbone interact. energy: -1.900
local terms energy: -710.841832
where:
bonds (distance) C4'-P energy: -137.159
bonds (distance) P-C4' energy: -137.892
flat angles C4'-P-C4' energy: -157.414
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -183.940
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: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2239.967405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.967405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.967405 (E_RNA)
where:
Base-Base interactions energy: -1588.815
where: short stacking energy: -681.245
Base-Backbone interact. energy: -3.873
local terms energy: -647.279369
where:
bonds (distance) C4'-P energy: -110.928
bonds (distance) P-C4' energy: -129.019
flat angles C4'-P-C4' energy: -135.568
flat angles P-C4'-P energy: -84.188
tors. eta vs tors. theta energy: -187.576
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: 312
Temperature: 1.150000
Total energy: -2043.072592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.072592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.072592 (E_RNA)
where:
Base-Base interactions energy: -1386.366
where: short stacking energy: -608.609
Base-Backbone interact. energy: 2.857
local terms energy: -659.563612
where:
bonds (distance) C4'-P energy: -129.213
bonds (distance) P-C4' energy: -123.903
flat angles C4'-P-C4' energy: -137.506
flat angles P-C4'-P energy: -99.769
tors. eta vs tors. theta energy: -169.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1738.108127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.108127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.108127 (E_RNA)
where:
Base-Base interactions energy: -1173.942
where: short stacking energy: -502.270
Base-Backbone interact. energy: -1.626
local terms energy: -562.540234
where:
bonds (distance) C4'-P energy: -112.582
bonds (distance) P-C4' energy: -123.064
flat angles C4'-P-C4' energy: -126.955
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -123.010
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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1713.229778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.229778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.229778 (E_RNA)
where:
Base-Base interactions energy: -1202.631
where: short stacking energy: -495.894
Base-Backbone interact. energy: -1.367
local terms energy: -509.231964
where:
bonds (distance) C4'-P energy: -101.672
bonds (distance) P-C4' energy: -100.533
flat angles C4'-P-C4' energy: -117.498
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -119.360
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: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1291.978343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.978343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.978343 (E_RNA)
where:
Base-Base interactions energy: -846.581
where: short stacking energy: -386.975
Base-Backbone interact. energy: 0.242
local terms energy: -445.639674
where:
bonds (distance) C4'-P energy: -83.873
bonds (distance) P-C4' energy: -108.456
flat angles C4'-P-C4' energy: -121.002
flat angles P-C4'-P energy: -61.623
tors. eta vs tors. theta energy: -70.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -1030.067352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.067352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.067352 (E_RNA)
where:
Base-Base interactions energy: -616.645
where: short stacking energy: -291.157
Base-Backbone interact. energy: 1.077
local terms energy: -414.499125
where:
bonds (distance) C4'-P energy: -105.854
bonds (distance) P-C4' energy: -100.662
flat angles C4'-P-C4' energy: -110.451
flat angles P-C4'-P energy: -54.391
tors. eta vs tors. theta energy: -43.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2559.757438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.757438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.757438 (E_RNA)
where:
Base-Base interactions energy: -1822.392
where: short stacking energy: -745.861
Base-Backbone interact. energy: -1.176
local terms energy: -736.189655
where:
bonds (distance) C4'-P energy: -143.055
bonds (distance) P-C4' energy: -146.320
flat angles C4'-P-C4' energy: -151.354
flat angles P-C4'-P energy: -91.441
tors. eta vs tors. theta energy: -204.019
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2492.781201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.781201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.781201 (E_RNA)
where:
Base-Base interactions energy: -1749.731
where: short stacking energy: -737.888
Base-Backbone interact. energy: -2.393
local terms energy: -740.657065
where:
bonds (distance) C4'-P energy: -135.474
bonds (distance) P-C4' energy: -120.644
flat angles C4'-P-C4' energy: -162.218
flat angles P-C4'-P energy: -104.275
tors. eta vs tors. theta energy: -218.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2414.947293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.947293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.947293 (E_RNA)
where:
Base-Base interactions energy: -1686.726
where: short stacking energy: -730.587
Base-Backbone interact. energy: -0.325
local terms energy: -727.896214
where:
bonds (distance) C4'-P energy: -129.826
bonds (distance) P-C4' energy: -133.593
flat angles C4'-P-C4' energy: -146.238
flat angles P-C4'-P energy: -106.981
tors. eta vs tors. theta energy: -211.258
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: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2415.203468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.203468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.203468 (E_RNA)
where:
Base-Base interactions energy: -1738.937
where: short stacking energy: -714.407
Base-Backbone interact. energy: -1.270
local terms energy: -674.996390
where:
bonds (distance) C4'-P energy: -112.647
bonds (distance) P-C4' energy: -142.733
flat angles C4'-P-C4' energy: -138.286
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -192.087
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2215.964406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.964406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.964406 (E_RNA)
where:
Base-Base interactions energy: -1551.556
where: short stacking energy: -648.411
Base-Backbone interact. energy: -0.469
local terms energy: -663.939136
where:
bonds (distance) C4'-P energy: -119.826
bonds (distance) P-C4' energy: -123.454
flat angles C4'-P-C4' energy: -139.940
flat angles P-C4'-P energy: -93.832
tors. eta vs tors. theta energy: -186.888
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: 313
Temperature: 1.150000
Total energy: -2101.789449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.789449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.789449 (E_RNA)
where:
Base-Base interactions energy: -1439.360
where: short stacking energy: -643.079
Base-Backbone interact. energy: -2.196
local terms energy: -660.233742
where:
bonds (distance) C4'-P energy: -104.800
bonds (distance) P-C4' energy: -136.299
flat angles C4'-P-C4' energy: -147.623
flat angles P-C4'-P energy: -94.930
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: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1789.935305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.935305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.935305 (E_RNA)
where:
Base-Base interactions energy: -1267.057
where: short stacking energy: -544.975
Base-Backbone interact. energy: -2.494
local terms energy: -520.384169
where:
bonds (distance) C4'-P energy: -100.285
bonds (distance) P-C4' energy: -112.868
flat angles C4'-P-C4' energy: -114.297
flat angles P-C4'-P energy: -63.663
tors. eta vs tors. theta energy: -129.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1692.045370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.045370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.045370 (E_RNA)
where:
Base-Base interactions energy: -1178.682
where: short stacking energy: -471.431
Base-Backbone interact. energy: 1.319
local terms energy: -514.681657
where:
bonds (distance) C4'-P energy: -114.253
bonds (distance) P-C4' energy: -102.535
flat angles C4'-P-C4' energy: -120.232
flat angles P-C4'-P energy: -85.943
tors. eta vs tors. theta energy: -91.719
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: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1256.473005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.473005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.473005 (E_RNA)
where:
Base-Base interactions energy: -832.191
where: short stacking energy: -388.293
Base-Backbone interact. energy: 1.501
local terms energy: -425.782914
where:
bonds (distance) C4'-P energy: -84.575
bonds (distance) P-C4' energy: -117.132
flat angles C4'-P-C4' energy: -101.858
flat angles P-C4'-P energy: -60.535
tors. eta vs tors. theta energy: -61.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -955.420544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.420544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.420544 (E_RNA)
where:
Base-Base interactions energy: -583.184
where: short stacking energy: -275.229
Base-Backbone interact. energy: 0.168
local terms energy: -372.403782
where:
bonds (distance) C4'-P energy: -94.561
bonds (distance) P-C4' energy: -112.929
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -56.256
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2521.593211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.593211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.593211 (E_RNA)
where:
Base-Base interactions energy: -1806.215
where: short stacking energy: -741.069
Base-Backbone interact. energy: -7.205
local terms energy: -708.173595
where:
bonds (distance) C4'-P energy: -128.504
bonds (distance) P-C4' energy: -141.728
flat angles C4'-P-C4' energy: -139.007
flat angles P-C4'-P energy: -103.289
tors. eta vs tors. theta energy: -195.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2499.128528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.128528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.128528 (E_RNA)
where:
Base-Base interactions energy: -1764.934
where: short stacking energy: -761.054
Base-Backbone interact. energy: -2.896
local terms energy: -731.298401
where:
bonds (distance) C4'-P energy: -124.096
bonds (distance) P-C4' energy: -121.995
flat angles C4'-P-C4' energy: -165.094
flat angles P-C4'-P energy: -113.917
tors. eta vs tors. theta energy: -206.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2413.151990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.151990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.151990 (E_RNA)
where:
Base-Base interactions energy: -1689.661
where: short stacking energy: -743.492
Base-Backbone interact. energy: -4.471
local terms energy: -719.020784
where:
bonds (distance) C4'-P energy: -128.813
bonds (distance) P-C4' energy: -138.979
flat angles C4'-P-C4' energy: -154.554
flat angles P-C4'-P energy: -88.823
tors. eta vs tors. theta energy: -207.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2448.817446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.817446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.817446 (E_RNA)
where:
Base-Base interactions energy: -1754.264
where: short stacking energy: -720.285
Base-Backbone interact. energy: -2.246
local terms energy: -692.307721
where:
bonds (distance) C4'-P energy: -135.243
bonds (distance) P-C4' energy: -128.533
flat angles C4'-P-C4' energy: -146.174
flat angles P-C4'-P energy: -85.177
tors. eta vs tors. theta energy: -197.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2209.798091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.798091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.798091 (E_RNA)
where:
Base-Base interactions energy: -1561.917
where: short stacking energy: -675.779
Base-Backbone interact. energy: 0.904
local terms energy: -648.785121
where:
bonds (distance) C4'-P energy: -124.450
bonds (distance) P-C4' energy: -127.175
flat angles C4'-P-C4' energy: -136.066
flat angles P-C4'-P energy: -87.801
tors. eta vs tors. theta energy: -173.293
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -2061.047952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.047952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.047952 (E_RNA)
where:
Base-Base interactions energy: -1397.081
where: short stacking energy: -614.972
Base-Backbone interact. energy: -0.216
local terms energy: -663.751159
where:
bonds (distance) C4'-P energy: -132.855
bonds (distance) P-C4' energy: -123.457
flat angles C4'-P-C4' energy: -141.133
flat angles P-C4'-P energy: -92.173
tors. eta vs tors. theta energy: -174.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1835.181293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.181293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.181293 (E_RNA)
where:
Base-Base interactions energy: -1252.202
where: short stacking energy: -552.092
Base-Backbone interact. energy: -1.569
local terms energy: -581.409808
where:
bonds (distance) C4'-P energy: -125.231
bonds (distance) P-C4' energy: -137.408
flat angles C4'-P-C4' energy: -121.425
flat angles P-C4'-P energy: -59.306
tors. eta vs tors. theta energy: -138.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1706.494216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.494216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.494216 (E_RNA)
where:
Base-Base interactions energy: -1178.912
where: short stacking energy: -512.526
Base-Backbone interact. energy: -3.644
local terms energy: -523.938923
where:
bonds (distance) C4'-P energy: -106.147
bonds (distance) P-C4' energy: -116.868
flat angles C4'-P-C4' energy: -119.684
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -102.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1324.425832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.425832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.425832 (E_RNA)
where:
Base-Base interactions energy: -858.747
where: short stacking energy: -388.096
Base-Backbone interact. energy: -1.417
local terms energy: -464.261723
where:
bonds (distance) C4'-P energy: -91.119
bonds (distance) P-C4' energy: -116.344
flat angles C4'-P-C4' energy: -122.468
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -71.980
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: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -947.454045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.454045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.454045 (E_RNA)
where:
Base-Base interactions energy: -538.259
where: short stacking energy: -279.736
Base-Backbone interact. energy: 6.170
local terms energy: -415.364626
where:
bonds (distance) C4'-P energy: -112.813
bonds (distance) P-C4' energy: -111.181
flat angles C4'-P-C4' energy: -98.378
flat angles P-C4'-P energy: -70.683
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2560.255792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.255792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.255792 (E_RNA)
where:
Base-Base interactions energy: -1792.631
where: short stacking energy: -751.072
Base-Backbone interact. energy: -1.701
local terms energy: -765.923958
where:
bonds (distance) C4'-P energy: -143.269
bonds (distance) P-C4' energy: -145.418
flat angles C4'-P-C4' energy: -164.026
flat angles P-C4'-P energy: -112.228
tors. eta vs tors. theta energy: -200.983
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: 2
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2497.019522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.019522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.019522 (E_RNA)
where:
Base-Base interactions energy: -1759.347
where: short stacking energy: -741.700
Base-Backbone interact. energy: -5.207
local terms energy: -732.464699
where:
bonds (distance) C4'-P energy: -124.377
bonds (distance) P-C4' energy: -148.582
flat angles C4'-P-C4' energy: -153.273
flat angles P-C4'-P energy: -97.673
tors. eta vs tors. theta energy: -208.559
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2423.544260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.544260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.544260 (E_RNA)
where:
Base-Base interactions energy: -1707.709
where: short stacking energy: -709.877
Base-Backbone interact. energy: -0.744
local terms energy: -715.090932
where:
bonds (distance) C4'-P energy: -138.360
bonds (distance) P-C4' energy: -127.306
flat angles C4'-P-C4' energy: -151.872
flat angles P-C4'-P energy: -92.252
tors. eta vs tors. theta energy: -205.300
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: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2406.791938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.791938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.791938 (E_RNA)
where:
Base-Base interactions energy: -1708.140
where: short stacking energy: -694.623
Base-Backbone interact. energy: 0.819
local terms energy: -699.471585
where:
bonds (distance) C4'-P energy: -126.038
bonds (distance) P-C4' energy: -143.559
flat angles C4'-P-C4' energy: -155.501
flat angles P-C4'-P energy: -80.070
tors. eta vs tors. theta energy: -194.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2226.976843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.976843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.976843 (E_RNA)
where:
Base-Base interactions energy: -1551.173
where: short stacking energy: -673.999
Base-Backbone interact. energy: -0.007
local terms energy: -675.797328
where:
bonds (distance) C4'-P energy: -137.915
bonds (distance) P-C4' energy: -110.807
flat angles C4'-P-C4' energy: -142.742
flat angles P-C4'-P energy: -97.978
tors. eta vs tors. theta energy: -186.356
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: 315
Temperature: 1.150000
Total energy: -2097.944435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.944435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.944435 (E_RNA)
where:
Base-Base interactions energy: -1446.671
where: short stacking energy: -654.450
Base-Backbone interact. energy: -0.613
local terms energy: -650.659655
where:
bonds (distance) C4'-P energy: -119.857
bonds (distance) P-C4' energy: -121.143
flat angles C4'-P-C4' energy: -144.213
flat angles P-C4'-P energy: -83.598
tors. eta vs tors. theta energy: -181.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1820.384485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.384485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.384485 (E_RNA)
where:
Base-Base interactions energy: -1269.053
where: short stacking energy: -516.287
Base-Backbone interact. energy: -2.490
local terms energy: -548.841261
where:
bonds (distance) C4'-P energy: -109.996
bonds (distance) P-C4' energy: -103.138
flat angles C4'-P-C4' energy: -125.925
flat angles P-C4'-P energy: -91.861
tors. eta vs tors. theta energy: -117.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1665.320033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.320033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.320033 (E_RNA)
where:
Base-Base interactions energy: -1144.654
where: short stacking energy: -495.792
Base-Backbone interact. energy: -3.904
local terms energy: -516.762926
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -118.042
flat angles P-C4'-P energy: -74.989
tors. eta vs tors. theta energy: -106.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1335.041868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.041868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.041868 (E_RNA)
where:
Base-Base interactions energy: -901.902
where: short stacking energy: -401.627
Base-Backbone interact. energy: 1.510
local terms energy: -434.650453
where:
bonds (distance) C4'-P energy: -105.267
bonds (distance) P-C4' energy: -111.115
flat angles C4'-P-C4' energy: -88.348
flat angles P-C4'-P energy: -66.925
tors. eta vs tors. theta energy: -62.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -989.552321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.552321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.552321 (E_RNA)
where:
Base-Base interactions energy: -578.901
where: short stacking energy: -284.617
Base-Backbone interact. energy: -2.158
local terms energy: -408.493146
where:
bonds (distance) C4'-P energy: -94.672
bonds (distance) P-C4' energy: -132.231
flat angles C4'-P-C4' energy: -100.644
flat angles P-C4'-P energy: -63.551
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2537.610892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.610892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.610892 (E_RNA)
where:
Base-Base interactions energy: -1812.778
where: short stacking energy: -746.474
Base-Backbone interact. energy: -2.890
local terms energy: -721.942896
where:
bonds (distance) C4'-P energy: -132.383
bonds (distance) P-C4' energy: -126.746
flat angles C4'-P-C4' energy: -148.816
flat angles P-C4'-P energy: -106.320
tors. eta vs tors. theta energy: -207.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2512.708035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.708035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.708035 (E_RNA)
where:
Base-Base interactions energy: -1807.874
where: short stacking energy: -743.703
Base-Backbone interact. energy: -1.539
local terms energy: -703.294583
where:
bonds (distance) C4'-P energy: -128.318
bonds (distance) P-C4' energy: -131.795
flat angles C4'-P-C4' energy: -143.235
flat angles P-C4'-P energy: -103.145
tors. eta vs tors. theta energy: -196.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2480.319482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.319482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.319482 (E_RNA)
where:
Base-Base interactions energy: -1776.185
where: short stacking energy: -721.965
Base-Backbone interact. energy: -0.915
local terms energy: -703.219650
where:
bonds (distance) C4'-P energy: -132.898
bonds (distance) P-C4' energy: -135.607
flat angles C4'-P-C4' energy: -148.832
flat angles P-C4'-P energy: -88.038
tors. eta vs tors. theta energy: -197.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -2418.441476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.441476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.441476 (E_RNA)
where:
Base-Base interactions energy: -1728.959
where: short stacking energy: -726.178
Base-Backbone interact. energy: -1.935
local terms energy: -687.547799
where:
bonds (distance) C4'-P energy: -106.515
bonds (distance) P-C4' energy: -128.507
flat angles C4'-P-C4' energy: -147.810
flat angles P-C4'-P energy: -94.090
tors. eta vs tors. theta energy: -210.626
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: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2228.903548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.903548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.903548 (E_RNA)
where:
Base-Base interactions energy: -1583.090
where: short stacking energy: -685.094
Base-Backbone interact. energy: -2.174
local terms energy: -643.639604
where:
bonds (distance) C4'-P energy: -118.733
bonds (distance) P-C4' energy: -116.216
flat angles C4'-P-C4' energy: -129.540
flat angles P-C4'-P energy: -97.718
tors. eta vs tors. theta energy: -181.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -2056.501933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.501933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.501933 (E_RNA)
where:
Base-Base interactions energy: -1455.897
where: short stacking energy: -653.297
Base-Backbone interact. energy: 0.597
local terms energy: -601.202140
where:
bonds (distance) C4'-P energy: -114.465
bonds (distance) P-C4' energy: -100.780
flat angles C4'-P-C4' energy: -141.440
flat angles P-C4'-P energy: -61.420
tors. eta vs tors. theta energy: -183.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1877.907786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.907786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.907786 (E_RNA)
where:
Base-Base interactions energy: -1290.448
where: short stacking energy: -578.982
Base-Backbone interact. energy: 0.360
local terms energy: -587.819357
where:
bonds (distance) C4'-P energy: -119.255
bonds (distance) P-C4' energy: -134.151
flat angles C4'-P-C4' energy: -107.473
flat angles P-C4'-P energy: -84.367
tors. eta vs tors. theta energy: -142.573
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: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1671.935205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.935205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.935205 (E_RNA)
where:
Base-Base interactions energy: -1148.667
where: short stacking energy: -493.484
Base-Backbone interact. energy: -3.272
local terms energy: -519.996899
where:
bonds (distance) C4'-P energy: -89.935
bonds (distance) P-C4' energy: -131.771
flat angles C4'-P-C4' energy: -119.565
flat angles P-C4'-P energy: -71.624
tors. eta vs tors. theta energy: -107.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1378.929759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.929759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.929759 (E_RNA)
where:
Base-Base interactions energy: -877.726
where: short stacking energy: -399.433
Base-Backbone interact. energy: -3.644
local terms energy: -497.559815
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -101.419
flat angles C4'-P-C4' energy: -123.621
flat angles P-C4'-P energy: -71.452
tors. eta vs tors. theta energy: -81.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -965.319549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.319549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.319549 (E_RNA)
where:
Base-Base interactions energy: -616.309
where: short stacking energy: -303.772
Base-Backbone interact. energy: 0.176
local terms energy: -349.186341
where:
bonds (distance) C4'-P energy: -112.109
bonds (distance) P-C4' energy: -97.465
flat angles C4'-P-C4' energy: -93.913
flat angles P-C4'-P energy: -36.713
tors. eta vs tors. theta energy: -8.987
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: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2524.474726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.474726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.474726 (E_RNA)
where:
Base-Base interactions energy: -1782.692
where: short stacking energy: -746.079
Base-Backbone interact. energy: -1.662
local terms energy: -740.120770
where:
bonds (distance) C4'-P energy: -140.319
bonds (distance) P-C4' energy: -134.095
flat angles C4'-P-C4' energy: -158.707
flat angles P-C4'-P energy: -104.988
tors. eta vs tors. theta energy: -202.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2526.572871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.572871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.572871 (E_RNA)
where:
Base-Base interactions energy: -1811.831
where: short stacking energy: -737.890
Base-Backbone interact. energy: -1.454
local terms energy: -713.287932
where:
bonds (distance) C4'-P energy: -135.538
bonds (distance) P-C4' energy: -124.088
flat angles C4'-P-C4' energy: -150.967
flat angles P-C4'-P energy: -103.650
tors. eta vs tors. theta energy: -199.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2451.033539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.033539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.033539 (E_RNA)
where:
Base-Base interactions energy: -1728.978
where: short stacking energy: -701.785
Base-Backbone interact. energy: -7.646
local terms energy: -714.410119
where:
bonds (distance) C4'-P energy: -131.671
bonds (distance) P-C4' energy: -135.254
flat angles C4'-P-C4' energy: -150.272
flat angles P-C4'-P energy: -96.122
tors. eta vs tors. theta energy: -201.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2391.097566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.097566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.097566 (E_RNA)
where:
Base-Base interactions energy: -1706.212
where: short stacking energy: -726.922
Base-Backbone interact. energy: -1.851
local terms energy: -683.034977
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -124.224
flat angles C4'-P-C4' energy: -148.458
flat angles P-C4'-P energy: -95.006
tors. eta vs tors. theta energy: -207.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2239.313815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.313815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.313815 (E_RNA)
where:
Base-Base interactions energy: -1551.499
where: short stacking energy: -681.583
Base-Backbone interact. energy: -2.345
local terms energy: -685.469230
where:
bonds (distance) C4'-P energy: -129.019
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -155.215
flat angles P-C4'-P energy: -93.255
tors. eta vs tors. theta energy: -192.100
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: 317
Temperature: 1.150000
Total energy: -2105.508701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.508701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.508701 (E_RNA)
where:
Base-Base interactions energy: -1471.366
where: short stacking energy: -628.239
Base-Backbone interact. energy: -2.167
local terms energy: -631.976390
where:
bonds (distance) C4'-P energy: -111.218
bonds (distance) P-C4' energy: -109.041
flat angles C4'-P-C4' energy: -136.892
flat angles P-C4'-P energy: -87.606
tors. eta vs tors. theta energy: -187.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1855.559341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.559341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.559341 (E_RNA)
where:
Base-Base interactions energy: -1247.603
where: short stacking energy: -538.251
Base-Backbone interact. energy: 1.524
local terms energy: -609.480651
where:
bonds (distance) C4'-P energy: -131.478
bonds (distance) P-C4' energy: -112.413
flat angles C4'-P-C4' energy: -135.289
flat angles P-C4'-P energy: -95.120
tors. eta vs tors. theta energy: -135.182
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: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1630.083054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.083054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.083054 (E_RNA)
where:
Base-Base interactions energy: -1138.582
where: short stacking energy: -487.651
Base-Backbone interact. energy: 0.243
local terms energy: -491.743641
where:
bonds (distance) C4'-P energy: -115.908
bonds (distance) P-C4' energy: -73.302
flat angles C4'-P-C4' energy: -126.114
flat angles P-C4'-P energy: -71.456
tors. eta vs tors. theta energy: -104.964
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: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1265.562046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.562046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.562046 (E_RNA)
where:
Base-Base interactions energy: -814.727
where: short stacking energy: -369.874
Base-Backbone interact. energy: 0.200
local terms energy: -451.034390
where:
bonds (distance) C4'-P energy: -106.620
bonds (distance) P-C4' energy: -111.910
flat angles C4'-P-C4' energy: -105.433
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -59.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -1033.637550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.637550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.637550 (E_RNA)
where:
Base-Base interactions energy: -619.001
where: short stacking energy: -292.475
Base-Backbone interact. energy: -2.600
local terms energy: -412.035957
where:
bonds (distance) C4'-P energy: -106.025
bonds (distance) P-C4' energy: -110.130
flat angles C4'-P-C4' energy: -102.776
flat angles P-C4'-P energy: -65.253
tors. eta vs tors. theta energy: -27.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2559.285952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.285952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.285952 (E_RNA)
where:
Base-Base interactions energy: -1806.676
where: short stacking energy: -728.910
Base-Backbone interact. energy: -1.368
local terms energy: -751.241571
where:
bonds (distance) C4'-P energy: -144.196
bonds (distance) P-C4' energy: -140.124
flat angles C4'-P-C4' energy: -159.034
flat angles P-C4'-P energy: -101.004
tors. eta vs tors. theta energy: -206.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2499.099271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.099271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.099271 (E_RNA)
where:
Base-Base interactions energy: -1750.561
where: short stacking energy: -730.825
Base-Backbone interact. energy: -5.139
local terms energy: -743.399707
where:
bonds (distance) C4'-P energy: -138.195
bonds (distance) P-C4' energy: -140.846
flat angles C4'-P-C4' energy: -152.321
flat angles P-C4'-P energy: -102.450
tors. eta vs tors. theta energy: -209.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2444.840646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.840646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.840646 (E_RNA)
where:
Base-Base interactions energy: -1744.163
where: short stacking energy: -738.475
Base-Backbone interact. energy: -1.939
local terms energy: -698.738507
where:
bonds (distance) C4'-P energy: -137.520
bonds (distance) P-C4' energy: -124.736
flat angles C4'-P-C4' energy: -136.629
flat angles P-C4'-P energy: -107.267
tors. eta vs tors. theta energy: -192.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2414.341646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.341646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.341646 (E_RNA)
where:
Base-Base interactions energy: -1689.353
where: short stacking energy: -704.664
Base-Backbone interact. energy: -1.372
local terms energy: -723.615873
where:
bonds (distance) C4'-P energy: -141.345
bonds (distance) P-C4' energy: -138.057
flat angles C4'-P-C4' energy: -145.252
flat angles P-C4'-P energy: -99.769
tors. eta vs tors. theta energy: -199.192
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: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -2201.041207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.041207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.041207 (E_RNA)
where:
Base-Base interactions energy: -1520.706
where: short stacking energy: -671.153
Base-Backbone interact. energy: 4.501
local terms energy: -684.836643
where:
bonds (distance) C4'-P energy: -122.565
bonds (distance) P-C4' energy: -134.193
flat angles C4'-P-C4' energy: -143.531
flat angles P-C4'-P energy: -103.473
tors. eta vs tors. theta energy: -181.075
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: 318
Temperature: 1.150000
Total energy: -2116.611961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.611961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.611961 (E_RNA)
where:
Base-Base interactions energy: -1463.838
where: short stacking energy: -627.184
Base-Backbone interact. energy: -2.230
local terms energy: -650.544023
where:
bonds (distance) C4'-P energy: -115.837
bonds (distance) P-C4' energy: -111.542
flat angles C4'-P-C4' energy: -138.349
flat angles P-C4'-P energy: -92.027
tors. eta vs tors. theta energy: -192.790
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1882.563065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.563065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.563065 (E_RNA)
where:
Base-Base interactions energy: -1301.796
where: short stacking energy: -565.687
Base-Backbone interact. energy: 4.724
local terms energy: -585.490439
where:
bonds (distance) C4'-P energy: -104.847
bonds (distance) P-C4' energy: -126.373
flat angles C4'-P-C4' energy: -128.932
flat angles P-C4'-P energy: -82.995
tors. eta vs tors. theta energy: -142.344
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: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1610.785928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.785928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.785928 (E_RNA)
where:
Base-Base interactions energy: -1098.229
where: short stacking energy: -479.810
Base-Backbone interact. energy: -3.253
local terms energy: -509.304559
where:
bonds (distance) C4'-P energy: -127.335
bonds (distance) P-C4' energy: -99.509
flat angles C4'-P-C4' energy: -109.608
flat angles P-C4'-P energy: -69.654
tors. eta vs tors. theta energy: -103.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1303.003109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.003109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.003109 (E_RNA)
where:
Base-Base interactions energy: -820.199
where: short stacking energy: -356.189
Base-Backbone interact. energy: -1.955
local terms energy: -480.849181
where:
bonds (distance) C4'-P energy: -109.333
bonds (distance) P-C4' energy: -118.480
flat angles C4'-P-C4' energy: -129.728
flat angles P-C4'-P energy: -57.341
tors. eta vs tors. theta energy: -65.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -1056.048937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.048937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.048937 (E_RNA)
where:
Base-Base interactions energy: -670.312
where: short stacking energy: -356.659
Base-Backbone interact. energy: 2.496
local terms energy: -388.233247
where:
bonds (distance) C4'-P energy: -95.976
bonds (distance) P-C4' energy: -92.681
flat angles C4'-P-C4' energy: -112.086
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -28.158
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: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2559.079867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.079867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.079867 (E_RNA)
where:
Base-Base interactions energy: -1829.930
where: short stacking energy: -734.037
Base-Backbone interact. energy: -2.688
local terms energy: -726.461944
where:
bonds (distance) C4'-P energy: -127.990
bonds (distance) P-C4' energy: -143.752
flat angles C4'-P-C4' energy: -159.143
flat angles P-C4'-P energy: -89.728
tors. eta vs tors. theta energy: -205.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2514.069386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.069386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.069386 (E_RNA)
where:
Base-Base interactions energy: -1787.091
where: short stacking energy: -738.331
Base-Backbone interact. energy: -4.214
local terms energy: -722.764700
where:
bonds (distance) C4'-P energy: -135.501
bonds (distance) P-C4' energy: -123.480
flat angles C4'-P-C4' energy: -157.879
flat angles P-C4'-P energy: -102.782
tors. eta vs tors. theta energy: -203.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2451.421452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.421452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.421452 (E_RNA)
where:
Base-Base interactions energy: -1744.850
where: short stacking energy: -721.988
Base-Backbone interact. energy: 3.227
local terms energy: -709.798376
where:
bonds (distance) C4'-P energy: -132.775
bonds (distance) P-C4' energy: -127.062
flat angles C4'-P-C4' energy: -145.194
flat angles P-C4'-P energy: -95.479
tors. eta vs tors. theta energy: -209.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2424.364226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.364226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.364226 (E_RNA)
where:
Base-Base interactions energy: -1732.565
where: short stacking energy: -751.690
Base-Backbone interact. energy: 0.219
local terms energy: -692.018700
where:
bonds (distance) C4'-P energy: -117.576
bonds (distance) P-C4' energy: -107.483
flat angles C4'-P-C4' energy: -161.541
flat angles P-C4'-P energy: -94.178
tors. eta vs tors. theta energy: -211.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2248.316628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.316628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.316628 (E_RNA)
where:
Base-Base interactions energy: -1578.576
where: short stacking energy: -687.778
Base-Backbone interact. energy: 0.120
local terms energy: -669.860589
where:
bonds (distance) C4'-P energy: -111.839
bonds (distance) P-C4' energy: -120.436
flat angles C4'-P-C4' energy: -154.068
flat angles P-C4'-P energy: -101.686
tors. eta vs tors. theta energy: -181.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -2114.135881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.135881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.135881 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -635.067
Base-Backbone interact. energy: 1.688
local terms energy: -659.722039
where:
bonds (distance) C4'-P energy: -125.584
bonds (distance) P-C4' energy: -132.061
flat angles C4'-P-C4' energy: -125.219
flat angles P-C4'-P energy: -93.315
tors. eta vs tors. theta energy: -183.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1896.684095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.684095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.684095 (E_RNA)
where:
Base-Base interactions energy: -1290.080
where: short stacking energy: -573.888
Base-Backbone interact. energy: 1.148
local terms energy: -607.752694
where:
bonds (distance) C4'-P energy: -113.417
bonds (distance) P-C4' energy: -118.225
flat angles C4'-P-C4' energy: -144.745
flat angles P-C4'-P energy: -77.894
tors. eta vs tors. theta energy: -153.471
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: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1683.883756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.883756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.883756 (E_RNA)
where:
Base-Base interactions energy: -1140.723
where: short stacking energy: -495.029
Base-Backbone interact. energy: 0.155
local terms energy: -543.316514
where:
bonds (distance) C4'-P energy: -98.442
bonds (distance) P-C4' energy: -129.535
flat angles C4'-P-C4' energy: -116.730
flat angles P-C4'-P energy: -80.905
tors. eta vs tors. theta energy: -117.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1221.873864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.873864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.873864 (E_RNA)
where:
Base-Base interactions energy: -772.088
where: short stacking energy: -343.769
Base-Backbone interact. energy: -2.710
local terms energy: -447.075939
where:
bonds (distance) C4'-P energy: -108.354
bonds (distance) P-C4' energy: -110.808
flat angles C4'-P-C4' energy: -107.174
flat angles P-C4'-P energy: -75.797
tors. eta vs tors. theta energy: -44.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -977.668442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.668442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.668442 (E_RNA)
where:
Base-Base interactions energy: -579.519
where: short stacking energy: -302.433
Base-Backbone interact. energy: 0.041
local terms energy: -398.189897
where:
bonds (distance) C4'-P energy: -104.867
bonds (distance) P-C4' energy: -118.776
flat angles C4'-P-C4' energy: -108.709
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2577.252973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.252973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.252973 (E_RNA)
where:
Base-Base interactions energy: -1818.627
where: short stacking energy: -744.961
Base-Backbone interact. energy: -1.200
local terms energy: -757.425986
where:
bonds (distance) C4'-P energy: -136.184
bonds (distance) P-C4' energy: -149.407
flat angles C4'-P-C4' energy: -159.972
flat angles P-C4'-P energy: -108.055
tors. eta vs tors. theta energy: -203.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2529.901999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.901999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.901999 (E_RNA)
where:
Base-Base interactions energy: -1789.841
where: short stacking energy: -740.365
Base-Backbone interact. energy: -6.559
local terms energy: -733.501448
where:
bonds (distance) C4'-P energy: -132.863
bonds (distance) P-C4' energy: -140.949
flat angles C4'-P-C4' energy: -159.039
flat angles P-C4'-P energy: -98.787
tors. eta vs tors. theta energy: -201.863
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: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2438.566793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.566793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.566793 (E_RNA)
where:
Base-Base interactions energy: -1742.856
where: short stacking energy: -736.376
Base-Backbone interact. energy: -1.970
local terms energy: -693.740620
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -127.200
flat angles C4'-P-C4' energy: -149.013
flat angles P-C4'-P energy: -84.631
tors. eta vs tors. theta energy: -208.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2400.960097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.960097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.960097 (E_RNA)
where:
Base-Base interactions energy: -1702.349
where: short stacking energy: -727.314
Base-Backbone interact. energy: 0.214
local terms energy: -698.824661
where:
bonds (distance) C4'-P energy: -120.427
bonds (distance) P-C4' energy: -126.502
flat angles C4'-P-C4' energy: -146.859
flat angles P-C4'-P energy: -96.208
tors. eta vs tors. theta energy: -208.829
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: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2247.542420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.542420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.542420 (E_RNA)
where:
Base-Base interactions energy: -1578.641
where: short stacking energy: -669.691
Base-Backbone interact. energy: -2.094
local terms energy: -666.807670
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -124.548
flat angles C4'-P-C4' energy: -137.944
flat angles P-C4'-P energy: -85.075
tors. eta vs tors. theta energy: -194.828
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: 320
Temperature: 1.150000
Total energy: -2110.154348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.154348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.154348 (E_RNA)
where:
Base-Base interactions energy: -1457.358
where: short stacking energy: -648.907
Base-Backbone interact. energy: 2.184
local terms energy: -654.979871
where:
bonds (distance) C4'-P energy: -111.030
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -149.244
flat angles P-C4'-P energy: -85.553
tors. eta vs tors. theta energy: -197.380
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: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1858.008261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.008261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.008261 (E_RNA)
where:
Base-Base interactions energy: -1311.070
where: short stacking energy: -557.921
Base-Backbone interact. energy: -0.986
local terms energy: -545.952233
where:
bonds (distance) C4'-P energy: -96.737
bonds (distance) P-C4' energy: -129.623
flat angles C4'-P-C4' energy: -132.868
flat angles P-C4'-P energy: -69.591
tors. eta vs tors. theta energy: -117.134
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: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1713.768952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.768952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.768952 (E_RNA)
where:
Base-Base interactions energy: -1176.753
where: short stacking energy: -523.037
Base-Backbone interact. energy: 0.800
local terms energy: -537.816339
where:
bonds (distance) C4'-P energy: -86.389
bonds (distance) P-C4' energy: -114.703
flat angles C4'-P-C4' energy: -134.543
flat angles P-C4'-P energy: -84.664
tors. eta vs tors. theta energy: -117.517
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: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1218.306732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.306732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.306732 (E_RNA)
where:
Base-Base interactions energy: -802.979
where: short stacking energy: -338.356
Base-Backbone interact. energy: -1.321
local terms energy: -414.006990
where:
bonds (distance) C4'-P energy: -106.207
bonds (distance) P-C4' energy: -100.713
flat angles C4'-P-C4' energy: -95.571
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -43.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -1059.055468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.055468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.055468 (E_RNA)
where:
Base-Base interactions energy: -634.896
where: short stacking energy: -295.199
Base-Backbone interact. energy: 1.254
local terms energy: -425.413362
where:
bonds (distance) C4'-P energy: -111.697
bonds (distance) P-C4' energy: -110.597
flat angles C4'-P-C4' energy: -95.933
flat angles P-C4'-P energy: -64.483
tors. eta vs tors. theta energy: -42.704
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: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2561.364641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.364641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.364641 (E_RNA)
where:
Base-Base interactions energy: -1821.037
where: short stacking energy: -750.665
Base-Backbone interact. energy: -2.257
local terms energy: -738.070495
where:
bonds (distance) C4'-P energy: -136.000
bonds (distance) P-C4' energy: -146.443
flat angles C4'-P-C4' energy: -161.591
flat angles P-C4'-P energy: -86.384
tors. eta vs tors. theta energy: -207.653
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: 3
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2536.995325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.995325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.995325 (E_RNA)
where:
Base-Base interactions energy: -1808.098
where: short stacking energy: -741.404
Base-Backbone interact. energy: -5.109
local terms energy: -723.788222
where:
bonds (distance) C4'-P energy: -124.464
bonds (distance) P-C4' energy: -137.236
flat angles C4'-P-C4' energy: -151.871
flat angles P-C4'-P energy: -106.612
tors. eta vs tors. theta energy: -203.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2453.414827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.414827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.414827 (E_RNA)
where:
Base-Base interactions energy: -1705.562
where: short stacking energy: -744.661
Base-Backbone interact. energy: -0.118
local terms energy: -747.735139
where:
bonds (distance) C4'-P energy: -140.754
bonds (distance) P-C4' energy: -133.683
flat angles C4'-P-C4' energy: -163.503
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -221.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2391.324942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.324942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.324942 (E_RNA)
where:
Base-Base interactions energy: -1700.378
where: short stacking energy: -722.560
Base-Backbone interact. energy: -2.033
local terms energy: -688.913173
where:
bonds (distance) C4'-P energy: -125.118
bonds (distance) P-C4' energy: -121.106
flat angles C4'-P-C4' energy: -151.772
flat angles P-C4'-P energy: -95.958
tors. eta vs tors. theta energy: -194.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2261.919348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.919348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.919348 (E_RNA)
where:
Base-Base interactions energy: -1590.493
where: short stacking energy: -659.132
Base-Backbone interact. energy: -2.177
local terms energy: -669.249597
where:
bonds (distance) C4'-P energy: -121.777
bonds (distance) P-C4' energy: -126.241
flat angles C4'-P-C4' energy: -142.640
flat angles P-C4'-P energy: -90.452
tors. eta vs tors. theta energy: -188.140
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: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -2107.515479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.515479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.515479 (E_RNA)
where:
Base-Base interactions energy: -1466.534
where: short stacking energy: -646.606
Base-Backbone interact. energy: -2.367
local terms energy: -638.614568
where:
bonds (distance) C4'-P energy: -116.722
bonds (distance) P-C4' energy: -124.681
flat angles C4'-P-C4' energy: -137.506
flat angles P-C4'-P energy: -84.859
tors. eta vs tors. theta energy: -174.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1821.505876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.505876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.505876 (E_RNA)
where:
Base-Base interactions energy: -1249.923
where: short stacking energy: -508.558
Base-Backbone interact. energy: -2.113
local terms energy: -569.469715
where:
bonds (distance) C4'-P energy: -116.532
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -133.811
flat angles P-C4'-P energy: -93.252
tors. eta vs tors. theta energy: -115.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1726.004031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.004031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.004031 (E_RNA)
where:
Base-Base interactions energy: -1164.162
where: short stacking energy: -515.095
Base-Backbone interact. energy: 9.838
local terms energy: -571.679316
where:
bonds (distance) C4'-P energy: -105.161
bonds (distance) P-C4' energy: -117.902
flat angles C4'-P-C4' energy: -120.346
flat angles P-C4'-P energy: -104.904
tors. eta vs tors. theta energy: -123.366
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: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1218.504556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.504556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.504556 (E_RNA)
where:
Base-Base interactions energy: -775.341
where: short stacking energy: -380.323
Base-Backbone interact. energy: 0.567
local terms energy: -443.730862
where:
bonds (distance) C4'-P energy: -105.195
bonds (distance) P-C4' energy: -112.056
flat angles C4'-P-C4' energy: -115.161
flat angles P-C4'-P energy: -58.003
tors. eta vs tors. theta energy: -53.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -1100.811031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.811031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.811031 (E_RNA)
where:
Base-Base interactions energy: -683.260
where: short stacking energy: -330.034
Base-Backbone interact. energy: -1.481
local terms energy: -416.070051
where:
bonds (distance) C4'-P energy: -120.320
bonds (distance) P-C4' energy: -115.961
flat angles C4'-P-C4' energy: -93.096
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -34.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2555.740704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.740704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.740704 (E_RNA)
where:
Base-Base interactions energy: -1827.124
where: short stacking energy: -766.023
Base-Backbone interact. energy: 1.180
local terms energy: -729.797336
where:
bonds (distance) C4'-P energy: -129.916
bonds (distance) P-C4' energy: -134.354
flat angles C4'-P-C4' energy: -141.926
flat angles P-C4'-P energy: -116.518
tors. eta vs tors. theta energy: -207.083
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: 2, replica: 3
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2546.479368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.479368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.479368 (E_RNA)
where:
Base-Base interactions energy: -1806.609
where: short stacking energy: -744.407
Base-Backbone interact. energy: -5.666
local terms energy: -734.204260
where:
bonds (distance) C4'-P energy: -133.563
bonds (distance) P-C4' energy: -129.920
flat angles C4'-P-C4' energy: -151.738
flat angles P-C4'-P energy: -111.074
tors. eta vs tors. theta energy: -207.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2441.634990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.634990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.634990 (E_RNA)
where:
Base-Base interactions energy: -1707.255
where: short stacking energy: -731.304
Base-Backbone interact. energy: 0.914
local terms energy: -735.293784
where:
bonds (distance) C4'-P energy: -132.454
bonds (distance) P-C4' energy: -138.470
flat angles C4'-P-C4' energy: -150.328
flat angles P-C4'-P energy: -102.586
tors. eta vs tors. theta energy: -211.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2376.126764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.126764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.126764 (E_RNA)
where:
Base-Base interactions energy: -1708.052
where: short stacking energy: -722.110
Base-Backbone interact. energy: -3.507
local terms energy: -664.568172
where:
bonds (distance) C4'-P energy: -120.634
bonds (distance) P-C4' energy: -116.463
flat angles C4'-P-C4' energy: -147.895
flat angles P-C4'-P energy: -85.211
tors. eta vs tors. theta energy: -194.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2223.732497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.732497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.732497 (E_RNA)
where:
Base-Base interactions energy: -1574.488
where: short stacking energy: -652.441
Base-Backbone interact. energy: -2.628
local terms energy: -646.616450
where:
bonds (distance) C4'-P energy: -129.020
bonds (distance) P-C4' energy: -102.630
flat angles C4'-P-C4' energy: -142.085
flat angles P-C4'-P energy: -87.326
tors. eta vs tors. theta energy: -185.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -2122.540745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.540745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.540745 (E_RNA)
where:
Base-Base interactions energy: -1457.212
where: short stacking energy: -648.565
Base-Backbone interact. energy: -2.192
local terms energy: -663.137255
where:
bonds (distance) C4'-P energy: -117.064
bonds (distance) P-C4' energy: -112.222
flat angles C4'-P-C4' energy: -155.868
flat angles P-C4'-P energy: -98.072
tors. eta vs tors. theta energy: -179.911
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: 1
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1915.886065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.886065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.886065 (E_RNA)
where:
Base-Base interactions energy: -1331.946
where: short stacking energy: -577.454
Base-Backbone interact. energy: -0.296
local terms energy: -583.644196
where:
bonds (distance) C4'-P energy: -109.696
bonds (distance) P-C4' energy: -114.140
flat angles C4'-P-C4' energy: -131.887
flat angles P-C4'-P energy: -82.742
tors. eta vs tors. theta energy: -145.179
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: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1672.458546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.458546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.458546 (E_RNA)
where:
Base-Base interactions energy: -1155.975
where: short stacking energy: -502.686
Base-Backbone interact. energy: -2.536
local terms energy: -513.947808
where:
bonds (distance) C4'-P energy: -120.161
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -111.899
flat angles P-C4'-P energy: -56.454
tors. eta vs tors. theta energy: -124.714
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: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1136.780753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.780753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.780753 (E_RNA)
where:
Base-Base interactions energy: -698.283
where: short stacking energy: -335.445
Base-Backbone interact. energy: -1.527
local terms energy: -436.970522
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -115.537
flat angles C4'-P-C4' energy: -104.790
flat angles P-C4'-P energy: -61.083
tors. eta vs tors. theta energy: -52.992
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: 4
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -1186.886727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.886727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.886727 (E_RNA)
where:
Base-Base interactions energy: -745.343
where: short stacking energy: -350.466
Base-Backbone interact. energy: -0.853
local terms energy: -440.691464
where:
bonds (distance) C4'-P energy: -96.620
bonds (distance) P-C4' energy: -122.959
flat angles C4'-P-C4' energy: -98.014
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -59.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2550.718782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.718782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.718782 (E_RNA)
where:
Base-Base interactions energy: -1813.548
where: short stacking energy: -758.704
Base-Backbone interact. energy: -1.527
local terms energy: -735.643673
where:
bonds (distance) C4'-P energy: -122.257
bonds (distance) P-C4' energy: -141.290
flat angles C4'-P-C4' energy: -163.475
flat angles P-C4'-P energy: -107.019
tors. eta vs tors. theta energy: -201.603
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: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2533.900779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.900779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.900779 (E_RNA)
where:
Base-Base interactions energy: -1794.342
where: short stacking energy: -744.744
Base-Backbone interact. energy: -5.705
local terms energy: -733.852987
where:
bonds (distance) C4'-P energy: -131.386
bonds (distance) P-C4' energy: -133.136
flat angles C4'-P-C4' energy: -158.711
flat angles P-C4'-P energy: -108.208
tors. eta vs tors. theta energy: -202.411
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: 5
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2465.792826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.792826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.792826 (E_RNA)
where:
Base-Base interactions energy: -1714.643
where: short stacking energy: -725.007
Base-Backbone interact. energy: -1.644
local terms energy: -749.505887
where:
bonds (distance) C4'-P energy: -133.890
bonds (distance) P-C4' energy: -143.054
flat angles C4'-P-C4' energy: -159.726
flat angles P-C4'-P energy: -105.976
tors. eta vs tors. theta energy: -206.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2367.258266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.258266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.258266 (E_RNA)
where:
Base-Base interactions energy: -1655.013
where: short stacking energy: -718.941
Base-Backbone interact. energy: -2.399
local terms energy: -709.845799
where:
bonds (distance) C4'-P energy: -124.910
bonds (distance) P-C4' energy: -125.080
flat angles C4'-P-C4' energy: -161.588
flat angles P-C4'-P energy: -84.247
tors. eta vs tors. theta energy: -214.021
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: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -2232.019336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.019336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.019336 (E_RNA)
where:
Base-Base interactions energy: -1570.646
where: short stacking energy: -656.652
Base-Backbone interact. energy: -1.007
local terms energy: -660.365735
where:
bonds (distance) C4'-P energy: -110.800
bonds (distance) P-C4' energy: -113.408
flat angles C4'-P-C4' energy: -152.813
flat angles P-C4'-P energy: -99.042
tors. eta vs tors. theta energy: -184.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2110.519175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.519175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.519175 (E_RNA)
where:
Base-Base interactions energy: -1449.453
where: short stacking energy: -624.490
Base-Backbone interact. energy: 0.491
local terms energy: -661.556654
where:
bonds (distance) C4'-P energy: -121.098
bonds (distance) P-C4' energy: -117.200
flat angles C4'-P-C4' energy: -144.581
flat angles P-C4'-P energy: -96.196
tors. eta vs tors. theta energy: -182.482
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: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1886.065000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.065000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.065000 (E_RNA)
where:
Base-Base interactions energy: -1311.638
where: short stacking energy: -565.700
Base-Backbone interact. energy: -2.701
local terms energy: -571.725511
where:
bonds (distance) C4'-P energy: -108.864
bonds (distance) P-C4' energy: -116.130
flat angles C4'-P-C4' energy: -132.854
flat angles P-C4'-P energy: -70.068
tors. eta vs tors. theta energy: -143.809
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: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1701.121984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.121984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.121984 (E_RNA)
where:
Base-Base interactions energy: -1181.351
where: short stacking energy: -515.004
Base-Backbone interact. energy: 1.636
local terms energy: -521.406963
where:
bonds (distance) C4'-P energy: -103.466
bonds (distance) P-C4' energy: -118.968
flat angles C4'-P-C4' energy: -97.742
flat angles P-C4'-P energy: -82.056
tors. eta vs tors. theta energy: -119.174
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: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1108.854073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.854073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.854073 (E_RNA)
where:
Base-Base interactions energy: -662.379
where: short stacking energy: -358.285
Base-Backbone interact. energy: -0.478
local terms energy: -445.997619
where:
bonds (distance) C4'-P energy: -113.418
bonds (distance) P-C4' energy: -113.773
flat angles C4'-P-C4' energy: -112.023
flat angles P-C4'-P energy: -53.118
tors. eta vs tors. theta energy: -53.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -1140.029422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.029422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.029422 (E_RNA)
where:
Base-Base interactions energy: -758.112
where: short stacking energy: -337.684
Base-Backbone interact. energy: 6.787
local terms energy: -388.704952
where:
bonds (distance) C4'-P energy: -98.305
bonds (distance) P-C4' energy: -123.304
flat angles C4'-P-C4' energy: -82.407
flat angles P-C4'-P energy: -50.623
tors. eta vs tors. theta energy: -34.066
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: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2574.381877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.381877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.381877 (E_RNA)
where:
Base-Base interactions energy: -1819.573
where: short stacking energy: -755.545
Base-Backbone interact. energy: -2.594
local terms energy: -752.215105
where:
bonds (distance) C4'-P energy: -144.072
bonds (distance) P-C4' energy: -142.683
flat angles C4'-P-C4' energy: -153.282
flat angles P-C4'-P energy: -113.612
tors. eta vs tors. theta energy: -198.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -2517.629514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.629514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.629514 (E_RNA)
where:
Base-Base interactions energy: -1782.328
where: short stacking energy: -732.119
Base-Backbone interact. energy: -3.104
local terms energy: -732.197673
where:
bonds (distance) C4'-P energy: -127.359
bonds (distance) P-C4' energy: -148.714
flat angles C4'-P-C4' energy: -148.340
flat angles P-C4'-P energy: -101.120
tors. eta vs tors. theta energy: -206.665
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: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2448.508273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.508273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.508273 (E_RNA)
where:
Base-Base interactions energy: -1725.455
where: short stacking energy: -719.720
Base-Backbone interact. energy: -2.604
local terms energy: -720.449546
where:
bonds (distance) C4'-P energy: -132.008
bonds (distance) P-C4' energy: -125.837
flat angles C4'-P-C4' energy: -156.413
flat angles P-C4'-P energy: -102.514
tors. eta vs tors. theta energy: -203.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2356.703104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.703104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.703104 (E_RNA)
where:
Base-Base interactions energy: -1659.252
where: short stacking energy: -715.944
Base-Backbone interact. energy: -1.629
local terms energy: -695.822125
where:
bonds (distance) C4'-P energy: -115.038
bonds (distance) P-C4' energy: -119.214
flat angles C4'-P-C4' energy: -156.025
flat angles P-C4'-P energy: -104.211
tors. eta vs tors. theta energy: -201.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2238.206773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.206773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.206773 (E_RNA)
where:
Base-Base interactions energy: -1573.344
where: short stacking energy: -676.883
Base-Backbone interact. energy: -4.077
local terms energy: -660.785561
where:
bonds (distance) C4'-P energy: -120.910
bonds (distance) P-C4' energy: -133.636
flat angles C4'-P-C4' energy: -131.860
flat angles P-C4'-P energy: -84.150
tors. eta vs tors. theta energy: -190.230
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: 324
Temperature: 1.150000
Total energy: -2053.774962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.774962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.774962 (E_RNA)
where:
Base-Base interactions energy: -1420.362
where: short stacking energy: -617.323
Base-Backbone interact. energy: -1.613
local terms energy: -631.799848
where:
bonds (distance) C4'-P energy: -108.258
bonds (distance) P-C4' energy: -115.383
flat angles C4'-P-C4' energy: -154.360
flat angles P-C4'-P energy: -86.412
tors. eta vs tors. theta energy: -167.386
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: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1908.909159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.909159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.909159 (E_RNA)
where:
Base-Base interactions energy: -1304.243
where: short stacking energy: -561.690
Base-Backbone interact. energy: -1.124
local terms energy: -603.541745
where:
bonds (distance) C4'-P energy: -118.045
bonds (distance) P-C4' energy: -130.471
flat angles C4'-P-C4' energy: -117.167
flat angles P-C4'-P energy: -94.032
tors. eta vs tors. theta energy: -143.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1706.273356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.273356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.273356 (E_RNA)
where:
Base-Base interactions energy: -1135.304
where: short stacking energy: -465.257
Base-Backbone interact. energy: 0.593
local terms energy: -571.562491
where:
bonds (distance) C4'-P energy: -117.592
bonds (distance) P-C4' energy: -117.067
flat angles C4'-P-C4' energy: -139.773
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -117.233
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: 8
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1086.695838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.695838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.695838 (E_RNA)
where:
Base-Base interactions energy: -669.855
where: short stacking energy: -343.914
Base-Backbone interact. energy: 5.332
local terms energy: -422.172336
where:
bonds (distance) C4'-P energy: -113.272
bonds (distance) P-C4' energy: -104.818
flat angles C4'-P-C4' energy: -104.447
flat angles P-C4'-P energy: -69.932
tors. eta vs tors. theta energy: -29.702
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: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -1100.073200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.073200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.073200 (E_RNA)
where:
Base-Base interactions energy: -672.912
where: short stacking energy: -307.567
Base-Backbone interact. energy: 5.019
local terms energy: -432.179876
where:
bonds (distance) C4'-P energy: -109.949
bonds (distance) P-C4' energy: -110.977
flat angles C4'-P-C4' energy: -96.542
flat angles P-C4'-P energy: -81.673
tors. eta vs tors. theta energy: -33.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2549.678701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.678701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.678701 (E_RNA)
where:
Base-Base interactions energy: -1826.369
where: short stacking energy: -725.902
Base-Backbone interact. energy: 7.259
local terms energy: -730.568582
where:
bonds (distance) C4'-P energy: -125.884
bonds (distance) P-C4' energy: -146.079
flat angles C4'-P-C4' energy: -163.028
flat angles P-C4'-P energy: -104.791
tors. eta vs tors. theta energy: -190.786
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2503.220142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.220142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.220142 (E_RNA)
where:
Base-Base interactions energy: -1748.027
where: short stacking energy: -754.054
Base-Backbone interact. energy: -2.413
local terms energy: -752.780680
where:
bonds (distance) C4'-P energy: -150.107
bonds (distance) P-C4' energy: -131.085
flat angles C4'-P-C4' energy: -157.369
flat angles P-C4'-P energy: -98.404
tors. eta vs tors. theta energy: -215.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2465.217653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.217653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.217653 (E_RNA)
where:
Base-Base interactions energy: -1752.598
where: short stacking energy: -720.855
Base-Backbone interact. energy: -2.891
local terms energy: -709.729313
where:
bonds (distance) C4'-P energy: -123.300
bonds (distance) P-C4' energy: -137.295
flat angles C4'-P-C4' energy: -148.933
flat angles P-C4'-P energy: -98.542
tors. eta vs tors. theta energy: -201.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2345.165317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.165317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.165317 (E_RNA)
where:
Base-Base interactions energy: -1657.495
where: short stacking energy: -706.196
Base-Backbone interact. energy: -1.089
local terms energy: -686.580915
where:
bonds (distance) C4'-P energy: -116.798
bonds (distance) P-C4' energy: -130.485
flat angles C4'-P-C4' energy: -143.458
flat angles P-C4'-P energy: -98.820
tors. eta vs tors. theta energy: -197.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2239.965373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.965373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.965373 (E_RNA)
where:
Base-Base interactions energy: -1543.287
where: short stacking energy: -631.839
Base-Backbone interact. energy: -3.256
local terms energy: -693.422224
where:
bonds (distance) C4'-P energy: -143.111
bonds (distance) P-C4' energy: -128.520
flat angles C4'-P-C4' energy: -146.888
flat angles P-C4'-P energy: -88.540
tors. eta vs tors. theta energy: -186.363
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: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -2092.155390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.155390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.155390 (E_RNA)
where:
Base-Base interactions energy: -1449.051
where: short stacking energy: -642.959
Base-Backbone interact. energy: -0.682
local terms energy: -642.422087
where:
bonds (distance) C4'-P energy: -113.809
bonds (distance) P-C4' energy: -118.633
flat angles C4'-P-C4' energy: -135.576
flat angles P-C4'-P energy: -94.876
tors. eta vs tors. theta energy: -179.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1830.849828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.849828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.849828 (E_RNA)
where:
Base-Base interactions energy: -1307.990
where: short stacking energy: -565.590
Base-Backbone interact. energy: 1.000
local terms energy: -523.859624
where:
bonds (distance) C4'-P energy: -95.324
bonds (distance) P-C4' energy: -113.951
flat angles C4'-P-C4' energy: -119.969
flat angles P-C4'-P energy: -66.924
tors. eta vs tors. theta energy: -127.692
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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1693.957819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.957819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.957819 (E_RNA)
where:
Base-Base interactions energy: -1191.285
where: short stacking energy: -505.477
Base-Backbone interact. energy: -0.132
local terms energy: -502.540629
where:
bonds (distance) C4'-P energy: -91.839
bonds (distance) P-C4' energy: -105.618
flat angles C4'-P-C4' energy: -130.077
flat angles P-C4'-P energy: -66.840
tors. eta vs tors. theta energy: -108.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1052.649256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.649256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.649256 (E_RNA)
where:
Base-Base interactions energy: -622.428
where: short stacking energy: -304.690
Base-Backbone interact. energy: 1.398
local terms energy: -431.618555
where:
bonds (distance) C4'-P energy: -95.814
bonds (distance) P-C4' energy: -121.036
flat angles C4'-P-C4' energy: -100.780
flat angles P-C4'-P energy: -81.921
tors. eta vs tors. theta energy: -32.069
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: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -1152.369546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.369546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.369546 (E_RNA)
where:
Base-Base interactions energy: -734.690
where: short stacking energy: -330.644
Base-Backbone interact. energy: -2.465
local terms energy: -415.214927
where:
bonds (distance) C4'-P energy: -97.294
bonds (distance) P-C4' energy: -121.252
flat angles C4'-P-C4' energy: -105.790
flat angles P-C4'-P energy: -56.166
tors. eta vs tors. theta energy: -34.713
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: 5
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2557.803586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.803586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.803586 (E_RNA)
where:
Base-Base interactions energy: -1805.747
where: short stacking energy: -785.835
Base-Backbone interact. energy: -3.535
local terms energy: -748.521550
where:
bonds (distance) C4'-P energy: -125.308
bonds (distance) P-C4' energy: -136.890
flat angles C4'-P-C4' energy: -160.551
flat angles P-C4'-P energy: -117.683
tors. eta vs tors. theta energy: -208.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2496.351996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.351996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.351996 (E_RNA)
where:
Base-Base interactions energy: -1787.576
where: short stacking energy: -724.508
Base-Backbone interact. energy: -0.235
local terms energy: -708.541274
where:
bonds (distance) C4'-P energy: -126.371
bonds (distance) P-C4' energy: -132.059
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -105.552
tors. eta vs tors. theta energy: -188.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2450.982610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.982610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.982610 (E_RNA)
where:
Base-Base interactions energy: -1753.112
where: short stacking energy: -717.897
Base-Backbone interact. energy: -6.304
local terms energy: -691.566453
where:
bonds (distance) C4'-P energy: -125.348
bonds (distance) P-C4' energy: -121.830
flat angles C4'-P-C4' energy: -145.981
flat angles P-C4'-P energy: -101.120
tors. eta vs tors. theta energy: -197.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2328.129638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.129638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.129638 (E_RNA)
where:
Base-Base interactions energy: -1654.407
where: short stacking energy: -677.487
Base-Backbone interact. energy: 0.926
local terms energy: -674.648574
where:
bonds (distance) C4'-P energy: -130.678
bonds (distance) P-C4' energy: -114.152
flat angles C4'-P-C4' energy: -154.987
flat angles P-C4'-P energy: -89.533
tors. eta vs tors. theta energy: -185.299
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2198.460015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.460015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.460015 (E_RNA)
where:
Base-Base interactions energy: -1527.111
where: short stacking energy: -643.611
Base-Backbone interact. energy: -3.771
local terms energy: -667.577669
where:
bonds (distance) C4'-P energy: -116.647
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -144.833
flat angles P-C4'-P energy: -90.207
tors. eta vs tors. theta energy: -175.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -2118.555377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.555377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.555377 (E_RNA)
where:
Base-Base interactions energy: -1484.917
where: short stacking energy: -665.124
Base-Backbone interact. energy: -2.956
local terms energy: -630.682367
where:
bonds (distance) C4'-P energy: -123.840
bonds (distance) P-C4' energy: -100.893
flat angles C4'-P-C4' energy: -138.397
flat angles P-C4'-P energy: -81.942
tors. eta vs tors. theta energy: -185.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1763.560606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.560606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.560606 (E_RNA)
where:
Base-Base interactions energy: -1224.115
where: short stacking energy: -503.296
Base-Backbone interact. energy: -1.527
local terms energy: -537.918748
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -114.700
flat angles C4'-P-C4' energy: -130.135
flat angles P-C4'-P energy: -78.806
tors. eta vs tors. theta energy: -111.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1680.008543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.008543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.008543 (E_RNA)
where:
Base-Base interactions energy: -1133.506
where: short stacking energy: -471.972
Base-Backbone interact. energy: -1.247
local terms energy: -545.255224
where:
bonds (distance) C4'-P energy: -106.733
bonds (distance) P-C4' energy: -123.240
flat angles C4'-P-C4' energy: -125.632
flat angles P-C4'-P energy: -73.140
tors. eta vs tors. theta energy: -116.510
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: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1221.249207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.249207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.249207 (E_RNA)
where:
Base-Base interactions energy: -804.102
where: short stacking energy: -338.076
Base-Backbone interact. energy: 1.459
local terms energy: -418.606675
where:
bonds (distance) C4'-P energy: -88.428
bonds (distance) P-C4' energy: -106.281
flat angles C4'-P-C4' energy: -88.595
flat angles P-C4'-P energy: -88.488
tors. eta vs tors. theta energy: -46.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -1013.814580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.814580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.814580 (E_RNA)
where:
Base-Base interactions energy: -621.776
where: short stacking energy: -325.916
Base-Backbone interact. energy: 0.490
local terms energy: -392.528628
where:
bonds (distance) C4'-P energy: -93.823
bonds (distance) P-C4' energy: -107.020
flat angles C4'-P-C4' energy: -95.445
flat angles P-C4'-P energy: -64.696
tors. eta vs tors. theta energy: -31.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2556.747259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.747259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.747259 (E_RNA)
where:
Base-Base interactions energy: -1797.754
where: short stacking energy: -776.373
Base-Backbone interact. energy: -1.886
local terms energy: -757.107155
where:
bonds (distance) C4'-P energy: -139.232
bonds (distance) P-C4' energy: -133.465
flat angles C4'-P-C4' energy: -157.672
flat angles P-C4'-P energy: -107.379
tors. eta vs tors. theta energy: -219.360
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: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2500.523710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.523710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.523710 (E_RNA)
where:
Base-Base interactions energy: -1782.568
where: short stacking energy: -736.845
Base-Backbone interact. energy: -2.788
local terms energy: -715.167164
where:
bonds (distance) C4'-P energy: -127.406
bonds (distance) P-C4' energy: -137.527
flat angles C4'-P-C4' energy: -148.634
flat angles P-C4'-P energy: -94.665
tors. eta vs tors. theta energy: -206.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2481.136993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.136993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.136993 (E_RNA)
where:
Base-Base interactions energy: -1748.551
where: short stacking energy: -733.843
Base-Backbone interact. energy: 2.630
local terms energy: -735.215923
where:
bonds (distance) C4'-P energy: -130.881
bonds (distance) P-C4' energy: -145.547
flat angles C4'-P-C4' energy: -159.603
flat angles P-C4'-P energy: -98.092
tors. eta vs tors. theta energy: -201.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2339.397627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.397627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.397627 (E_RNA)
where:
Base-Base interactions energy: -1643.938
where: short stacking energy: -676.895
Base-Backbone interact. energy: -0.878
local terms energy: -694.581946
where:
bonds (distance) C4'-P energy: -122.493
bonds (distance) P-C4' energy: -130.185
flat angles C4'-P-C4' energy: -148.814
flat angles P-C4'-P energy: -107.026
tors. eta vs tors. theta energy: -186.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2237.497613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.497613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.497613 (E_RNA)
where:
Base-Base interactions energy: -1574.507
where: short stacking energy: -667.115
Base-Backbone interact. energy: -2.755
local terms energy: -660.235262
where:
bonds (distance) C4'-P energy: -124.738
bonds (distance) P-C4' energy: -122.849
flat angles C4'-P-C4' energy: -135.988
flat angles P-C4'-P energy: -91.892
tors. eta vs tors. theta energy: -184.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -2075.775103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.775103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.775103 (E_RNA)
where:
Base-Base interactions energy: -1429.032
where: short stacking energy: -634.450
Base-Backbone interact. energy: -1.544
local terms energy: -645.199479
where:
bonds (distance) C4'-P energy: -122.086
bonds (distance) P-C4' energy: -111.031
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -98.104
tors. eta vs tors. theta energy: -182.586
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: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1846.485964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.485964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.485964 (E_RNA)
where:
Base-Base interactions energy: -1261.836
where: short stacking energy: -548.188
Base-Backbone interact. energy: -3.442
local terms energy: -581.207843
where:
bonds (distance) C4'-P energy: -117.843
bonds (distance) P-C4' energy: -114.065
flat angles C4'-P-C4' energy: -135.183
flat angles P-C4'-P energy: -82.437
tors. eta vs tors. theta energy: -131.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1702.067508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.067508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.067508 (E_RNA)
where:
Base-Base interactions energy: -1171.409
where: short stacking energy: -489.578
Base-Backbone interact. energy: 0.936
local terms energy: -531.595065
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -122.630
flat angles C4'-P-C4' energy: -121.737
flat angles P-C4'-P energy: -72.593
tors. eta vs tors. theta energy: -108.847
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: 4
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1235.372550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.372550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.372550 (E_RNA)
where:
Base-Base interactions energy: -774.890
where: short stacking energy: -357.642
Base-Backbone interact. energy: 0.228
local terms energy: -460.710353
where:
bonds (distance) C4'-P energy: -112.812
bonds (distance) P-C4' energy: -132.977
flat angles C4'-P-C4' energy: -115.486
flat angles P-C4'-P energy: -53.150
tors. eta vs tors. theta energy: -46.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -1019.003008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.003008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.003008 (E_RNA)
where:
Base-Base interactions energy: -594.608
where: short stacking energy: -302.414
Base-Backbone interact. energy: -2.013
local terms energy: -422.381567
where:
bonds (distance) C4'-P energy: -96.817
bonds (distance) P-C4' energy: -108.441
flat angles C4'-P-C4' energy: -125.126
flat angles P-C4'-P energy: -67.865
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2544.652401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.652401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.652401 (E_RNA)
where:
Base-Base interactions energy: -1789.476
where: short stacking energy: -751.523
Base-Backbone interact. energy: 1.074
local terms energy: -756.249558
where:
bonds (distance) C4'-P energy: -140.032
bonds (distance) P-C4' energy: -139.915
flat angles C4'-P-C4' energy: -156.635
flat angles P-C4'-P energy: -104.541
tors. eta vs tors. theta energy: -215.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2527.235997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.235997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.235997 (E_RNA)
where:
Base-Base interactions energy: -1804.472
where: short stacking energy: -738.576
Base-Backbone interact. energy: 1.502
local terms energy: -724.265875
where:
bonds (distance) C4'-P energy: -119.006
bonds (distance) P-C4' energy: -128.534
flat angles C4'-P-C4' energy: -155.105
flat angles P-C4'-P energy: -114.516
tors. eta vs tors. theta energy: -207.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2442.033075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.033075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.033075 (E_RNA)
where:
Base-Base interactions energy: -1751.784
where: short stacking energy: -736.305
Base-Backbone interact. energy: -1.695
local terms energy: -688.554189
where:
bonds (distance) C4'-P energy: -124.215
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -103.434
tors. eta vs tors. theta energy: -184.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2355.972579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.972579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.972579 (E_RNA)
where:
Base-Base interactions energy: -1670.706
where: short stacking energy: -740.510
Base-Backbone interact. energy: -3.339
local terms energy: -681.927565
where:
bonds (distance) C4'-P energy: -126.798
bonds (distance) P-C4' energy: -123.119
flat angles C4'-P-C4' energy: -156.470
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -198.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2208.109479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.109479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.109479 (E_RNA)
where:
Base-Base interactions energy: -1567.766
where: short stacking energy: -670.438
Base-Backbone interact. energy: 0.549
local terms energy: -640.892148
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -118.645
flat angles C4'-P-C4' energy: -149.377
flat angles P-C4'-P energy: -89.770
tors. eta vs tors. theta energy: -172.367
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: 328
Temperature: 1.150000
Total energy: -2079.045326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.045326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.045326 (E_RNA)
where:
Base-Base interactions energy: -1430.901
where: short stacking energy: -627.957
Base-Backbone interact. energy: -3.187
local terms energy: -644.957359
where:
bonds (distance) C4'-P energy: -126.794
bonds (distance) P-C4' energy: -102.666
flat angles C4'-P-C4' energy: -133.588
flat angles P-C4'-P energy: -95.137
tors. eta vs tors. theta energy: -186.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1802.136635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.136635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.136635 (E_RNA)
where:
Base-Base interactions energy: -1225.403
where: short stacking energy: -534.220
Base-Backbone interact. energy: 3.954
local terms energy: -580.686933
where:
bonds (distance) C4'-P energy: -108.538
bonds (distance) P-C4' energy: -143.151
flat angles C4'-P-C4' energy: -118.761
flat angles P-C4'-P energy: -78.096
tors. eta vs tors. theta energy: -132.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1703.651178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.651178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.651178 (E_RNA)
where:
Base-Base interactions energy: -1176.674
where: short stacking energy: -501.741
Base-Backbone interact. energy: -1.851
local terms energy: -525.125693
where:
bonds (distance) C4'-P energy: -96.560
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -130.022
flat angles P-C4'-P energy: -74.604
tors. eta vs tors. theta energy: -114.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1258.438354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.438354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.438354 (E_RNA)
where:
Base-Base interactions energy: -805.338
where: short stacking energy: -376.152
Base-Backbone interact. energy: -3.170
local terms energy: -449.931276
where:
bonds (distance) C4'-P energy: -96.232
bonds (distance) P-C4' energy: -119.900
flat angles C4'-P-C4' energy: -123.490
flat angles P-C4'-P energy: -57.306
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -921.064493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.064493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.064493 (E_RNA)
where:
Base-Base interactions energy: -526.081
where: short stacking energy: -262.018
Base-Backbone interact. energy: -0.459
local terms energy: -394.524480
where:
bonds (distance) C4'-P energy: -114.338
bonds (distance) P-C4' energy: -105.717
flat angles C4'-P-C4' energy: -100.898
flat angles P-C4'-P energy: -61.507
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2597.109566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.109566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.109566 (E_RNA)
where:
Base-Base interactions energy: -1826.786
where: short stacking energy: -772.692
Base-Backbone interact. energy: -2.782
local terms energy: -767.541211
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -148.707
flat angles C4'-P-C4' energy: -159.593
flat angles P-C4'-P energy: -106.867
tors. eta vs tors. theta energy: -220.925
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: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2524.452610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.452610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.452610 (E_RNA)
where:
Base-Base interactions energy: -1789.622
where: short stacking energy: -751.032
Base-Backbone interact. energy: -4.673
local terms energy: -730.158247
where:
bonds (distance) C4'-P energy: -134.853
bonds (distance) P-C4' energy: -139.607
flat angles C4'-P-C4' energy: -150.406
flat angles P-C4'-P energy: -104.922
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: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2480.650658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.650658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.650658 (E_RNA)
where:
Base-Base interactions energy: -1772.320
where: short stacking energy: -747.510
Base-Backbone interact. energy: -2.118
local terms energy: -706.213044
where:
bonds (distance) C4'-P energy: -139.147
bonds (distance) P-C4' energy: -124.308
flat angles C4'-P-C4' energy: -146.508
flat angles P-C4'-P energy: -98.477
tors. eta vs tors. theta energy: -197.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2312.610575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.610575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.610575 (E_RNA)
where:
Base-Base interactions energy: -1632.068
where: short stacking energy: -692.306
Base-Backbone interact. energy: -1.321
local terms energy: -679.221527
where:
bonds (distance) C4'-P energy: -129.045
bonds (distance) P-C4' energy: -115.194
flat angles C4'-P-C4' energy: -147.068
flat angles P-C4'-P energy: -94.170
tors. eta vs tors. theta energy: -193.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2193.773311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.773311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.773311 (E_RNA)
where:
Base-Base interactions energy: -1561.617
where: short stacking energy: -666.530
Base-Backbone interact. energy: -2.804
local terms energy: -629.352401
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -121.003
flat angles C4'-P-C4' energy: -144.776
flat angles P-C4'-P energy: -95.685
tors. eta vs tors. theta energy: -173.733
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: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -2073.483077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.483077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.483077 (E_RNA)
where:
Base-Base interactions energy: -1426.185
where: short stacking energy: -636.978
Base-Backbone interact. energy: -2.024
local terms energy: -645.274092
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -118.400
flat angles C4'-P-C4' energy: -140.941
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -180.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1801.453863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.453863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.453863 (E_RNA)
where:
Base-Base interactions energy: -1241.437
where: short stacking energy: -539.583
Base-Backbone interact. energy: 0.728
local terms energy: -560.744869
where:
bonds (distance) C4'-P energy: -111.059
bonds (distance) P-C4' energy: -118.875
flat angles C4'-P-C4' energy: -125.595
flat angles P-C4'-P energy: -82.161
tors. eta vs tors. theta energy: -123.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1749.846788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.846788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.846788 (E_RNA)
where:
Base-Base interactions energy: -1196.377
where: short stacking energy: -509.600
Base-Backbone interact. energy: 1.895
local terms energy: -555.364720
where:
bonds (distance) C4'-P energy: -118.103
bonds (distance) P-C4' energy: -124.075
flat angles C4'-P-C4' energy: -108.975
flat angles P-C4'-P energy: -85.011
tors. eta vs tors. theta energy: -119.201
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: 4
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1304.748801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.748801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.748801 (E_RNA)
where:
Base-Base interactions energy: -843.195
where: short stacking energy: -391.741
Base-Backbone interact. energy: -1.702
local terms energy: -459.851595
where:
bonds (distance) C4'-P energy: -112.672
bonds (distance) P-C4' energy: -132.481
flat angles C4'-P-C4' energy: -109.699
flat angles P-C4'-P energy: -58.633
tors. eta vs tors. theta energy: -46.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -858.808136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.808136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.808136 (E_RNA)
where:
Base-Base interactions energy: -455.146
where: short stacking energy: -250.245
Base-Backbone interact. energy: 6.650
local terms energy: -410.311790
where:
bonds (distance) C4'-P energy: -95.840
bonds (distance) P-C4' energy: -137.828
flat angles C4'-P-C4' energy: -97.276
flat angles P-C4'-P energy: -66.811
tors. eta vs tors. theta energy: -12.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2566.058364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.058364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.058364 (E_RNA)
where:
Base-Base interactions energy: -1807.540
where: short stacking energy: -760.778
Base-Backbone interact. energy: -2.643
local terms energy: -755.875433
where:
bonds (distance) C4'-P energy: -134.590
bonds (distance) P-C4' energy: -140.640
flat angles C4'-P-C4' energy: -164.380
flat angles P-C4'-P energy: -101.273
tors. eta vs tors. theta energy: -214.992
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: 3
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2512.269308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.269308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.269308 (E_RNA)
where:
Base-Base interactions energy: -1811.343
where: short stacking energy: -755.948
Base-Backbone interact. energy: -5.628
local terms energy: -695.297509
where:
bonds (distance) C4'-P energy: -130.844
bonds (distance) P-C4' energy: -128.450
flat angles C4'-P-C4' energy: -144.097
flat angles P-C4'-P energy: -92.748
tors. eta vs tors. theta energy: -199.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2489.334189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.334189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.334189 (E_RNA)
where:
Base-Base interactions energy: -1781.954
where: short stacking energy: -731.667
Base-Backbone interact. energy: 0.321
local terms energy: -707.701314
where:
bonds (distance) C4'-P energy: -106.746
bonds (distance) P-C4' energy: -135.837
flat angles C4'-P-C4' energy: -145.090
flat angles P-C4'-P energy: -113.442
tors. eta vs tors. theta energy: -206.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2310.509665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.509665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.509665 (E_RNA)
where:
Base-Base interactions energy: -1621.421
where: short stacking energy: -697.958
Base-Backbone interact. energy: 1.031
local terms energy: -690.119084
where:
bonds (distance) C4'-P energy: -112.818
bonds (distance) P-C4' energy: -133.272
flat angles C4'-P-C4' energy: -157.105
flat angles P-C4'-P energy: -88.605
tors. eta vs tors. theta energy: -198.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2185.957616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.957616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.957616 (E_RNA)
where:
Base-Base interactions energy: -1530.597
where: short stacking energy: -650.763
Base-Backbone interact. energy: 3.772
local terms energy: -659.132790
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -137.444
flat angles C4'-P-C4' energy: -142.557
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -180.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -2022.707832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.707832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.707832 (E_RNA)
where:
Base-Base interactions energy: -1369.378
where: short stacking energy: -614.442
Base-Backbone interact. energy: 1.059
local terms energy: -654.389295
where:
bonds (distance) C4'-P energy: -107.666
bonds (distance) P-C4' energy: -136.396
flat angles C4'-P-C4' energy: -147.868
flat angles P-C4'-P energy: -99.594
tors. eta vs tors. theta energy: -162.865
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: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1799.955700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.955700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.955700 (E_RNA)
where:
Base-Base interactions energy: -1237.676
where: short stacking energy: -532.398
Base-Backbone interact. energy: -0.974
local terms energy: -561.306167
where:
bonds (distance) C4'-P energy: -109.999
bonds (distance) P-C4' energy: -107.944
flat angles C4'-P-C4' energy: -125.389
flat angles P-C4'-P energy: -84.720
tors. eta vs tors. theta energy: -133.253
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: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1671.303040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.303040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.303040 (E_RNA)
where:
Base-Base interactions energy: -1158.230
where: short stacking energy: -501.571
Base-Backbone interact. energy: -5.033
local terms energy: -508.040399
where:
bonds (distance) C4'-P energy: -95.901
bonds (distance) P-C4' energy: -119.223
flat angles C4'-P-C4' energy: -120.637
flat angles P-C4'-P energy: -77.273
tors. eta vs tors. theta energy: -95.006
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: 4
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1243.240153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.240153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.240153 (E_RNA)
where:
Base-Base interactions energy: -757.185
where: short stacking energy: -343.379
Base-Backbone interact. energy: -1.157
local terms energy: -484.897638
where:
bonds (distance) C4'-P energy: -112.270
bonds (distance) P-C4' energy: -128.310
flat angles C4'-P-C4' energy: -115.799
flat angles P-C4'-P energy: -65.646
tors. eta vs tors. theta energy: -62.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -865.852313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.852313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.852313 (E_RNA)
where:
Base-Base interactions energy: -503.500
where: short stacking energy: -265.650
Base-Backbone interact. energy: 9.182
local terms energy: -371.534712
where:
bonds (distance) C4'-P energy: -93.172
bonds (distance) P-C4' energy: -116.272
flat angles C4'-P-C4' energy: -92.586
flat angles P-C4'-P energy: -61.187
tors. eta vs tors. theta energy: -8.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2575.528465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.528465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.528465 (E_RNA)
where:
Base-Base interactions energy: -1804.060
where: short stacking energy: -774.966
Base-Backbone interact. energy: -3.932
local terms energy: -767.535987
where:
bonds (distance) C4'-P energy: -134.100
bonds (distance) P-C4' energy: -133.907
flat angles C4'-P-C4' energy: -156.685
flat angles P-C4'-P energy: -112.874
tors. eta vs tors. theta energy: -229.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2527.118395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.118395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.118395 (E_RNA)
where:
Base-Base interactions energy: -1811.835
where: short stacking energy: -744.915
Base-Backbone interact. energy: -1.403
local terms energy: -713.880842
where:
bonds (distance) C4'-P energy: -125.957
bonds (distance) P-C4' energy: -145.367
flat angles C4'-P-C4' energy: -142.860
flat angles P-C4'-P energy: -99.673
tors. eta vs tors. theta energy: -200.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2505.742819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.742819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.742819 (E_RNA)
where:
Base-Base interactions energy: -1794.162
where: short stacking energy: -728.859
Base-Backbone interact. energy: 2.807
local terms energy: -714.387631
where:
bonds (distance) C4'-P energy: -127.077
bonds (distance) P-C4' energy: -133.471
flat angles C4'-P-C4' energy: -153.930
flat angles P-C4'-P energy: -101.838
tors. eta vs tors. theta energy: -198.071
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: 4, replica: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2376.845761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.845761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.845761 (E_RNA)
where:
Base-Base interactions energy: -1701.198
where: short stacking energy: -706.864
Base-Backbone interact. energy: -3.761
local terms energy: -671.886664
where:
bonds (distance) C4'-P energy: -112.036
bonds (distance) P-C4' energy: -111.530
flat angles C4'-P-C4' energy: -149.087
flat angles P-C4'-P energy: -93.860
tors. eta vs tors. theta energy: -205.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2217.522607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.522607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.522607 (E_RNA)
where:
Base-Base interactions energy: -1576.788
where: short stacking energy: -676.898
Base-Backbone interact. energy: 0.022
local terms energy: -640.756642
where:
bonds (distance) C4'-P energy: -120.398
bonds (distance) P-C4' energy: -106.693
flat angles C4'-P-C4' energy: -140.433
flat angles P-C4'-P energy: -91.942
tors. eta vs tors. theta energy: -181.290
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: 331
Temperature: 1.150000
Total energy: -2051.330616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.330616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.330616 (E_RNA)
where:
Base-Base interactions energy: -1407.298
where: short stacking energy: -625.493
Base-Backbone interact. energy: -2.031
local terms energy: -642.001445
where:
bonds (distance) C4'-P energy: -114.680
bonds (distance) P-C4' energy: -111.922
flat angles C4'-P-C4' energy: -143.207
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: -186.719
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: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1877.296757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.296757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.296757 (E_RNA)
where:
Base-Base interactions energy: -1306.559
where: short stacking energy: -545.979
Base-Backbone interact. energy: -1.204
local terms energy: -569.533624
where:
bonds (distance) C4'-P energy: -124.986
bonds (distance) P-C4' energy: -101.456
flat angles C4'-P-C4' energy: -125.148
flat angles P-C4'-P energy: -94.845
tors. eta vs tors. theta energy: -123.099
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: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1649.982000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.982000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.982000 (E_RNA)
where:
Base-Base interactions energy: -1120.952
where: short stacking energy: -489.430
Base-Backbone interact. energy: -5.071
local terms energy: -523.959038
where:
bonds (distance) C4'-P energy: -103.223
bonds (distance) P-C4' energy: -99.469
flat angles C4'-P-C4' energy: -137.660
flat angles P-C4'-P energy: -81.268
tors. eta vs tors. theta energy: -102.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1249.049620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.049620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.049620 (E_RNA)
where:
Base-Base interactions energy: -823.255
where: short stacking energy: -340.806
Base-Backbone interact. energy: -1.410
local terms energy: -424.384700
where:
bonds (distance) C4'-P energy: -101.401
bonds (distance) P-C4' energy: -119.887
flat angles C4'-P-C4' energy: -105.362
flat angles P-C4'-P energy: -60.026
tors. eta vs tors. theta energy: -37.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -877.468388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.468388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.468388 (E_RNA)
where:
Base-Base interactions energy: -498.137
where: short stacking energy: -252.241
Base-Backbone interact. energy: 5.414
local terms energy: -384.746060
where:
bonds (distance) C4'-P energy: -109.963
bonds (distance) P-C4' energy: -111.299
flat angles C4'-P-C4' energy: -116.438
flat angles P-C4'-P energy: -50.979
tors. eta vs tors. theta energy: 3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2564.592333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.592333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.592333 (E_RNA)
where:
Base-Base interactions energy: -1789.914
where: short stacking energy: -771.102
Base-Backbone interact. energy: -2.411
local terms energy: -772.267112
where:
bonds (distance) C4'-P energy: -138.479
bonds (distance) P-C4' energy: -138.208
flat angles C4'-P-C4' energy: -160.401
flat angles P-C4'-P energy: -115.195
tors. eta vs tors. theta energy: -219.983
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: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2502.906887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.906887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.906887 (E_RNA)
where:
Base-Base interactions energy: -1774.850
where: short stacking energy: -748.421
Base-Backbone interact. energy: 0.729
local terms energy: -728.786368
where:
bonds (distance) C4'-P energy: -118.771
bonds (distance) P-C4' energy: -145.359
flat angles C4'-P-C4' energy: -148.445
flat angles P-C4'-P energy: -107.734
tors. eta vs tors. theta energy: -208.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2455.391508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.391508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.391508 (E_RNA)
where:
Base-Base interactions energy: -1762.390
where: short stacking energy: -704.786
Base-Backbone interact. energy: -2.699
local terms energy: -690.302594
where:
bonds (distance) C4'-P energy: -129.073
bonds (distance) P-C4' energy: -123.249
flat angles C4'-P-C4' energy: -146.065
flat angles P-C4'-P energy: -97.772
tors. eta vs tors. theta energy: -194.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2355.547566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.547566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.547566 (E_RNA)
where:
Base-Base interactions energy: -1653.651
where: short stacking energy: -693.657
Base-Backbone interact. energy: 0.154
local terms energy: -702.050508
where:
bonds (distance) C4'-P energy: -125.092
bonds (distance) P-C4' energy: -137.303
flat angles C4'-P-C4' energy: -147.873
flat angles P-C4'-P energy: -95.677
tors. eta vs tors. theta energy: -196.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2219.541417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.541417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.541417 (E_RNA)
where:
Base-Base interactions energy: -1579.253
where: short stacking energy: -663.984
Base-Backbone interact. energy: -4.363
local terms energy: -635.925368
where:
bonds (distance) C4'-P energy: -118.712
bonds (distance) P-C4' energy: -113.844
flat angles C4'-P-C4' energy: -136.090
flat angles P-C4'-P energy: -90.342
tors. eta vs tors. theta energy: -176.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -2047.759891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.759891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.759891 (E_RNA)
where:
Base-Base interactions energy: -1383.858
where: short stacking energy: -590.369
Base-Backbone interact. energy: 3.821
local terms energy: -667.722610
where:
bonds (distance) C4'-P energy: -135.818
bonds (distance) P-C4' energy: -129.444
flat angles C4'-P-C4' energy: -148.457
flat angles P-C4'-P energy: -89.039
tors. eta vs tors. theta energy: -164.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1855.255619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.255619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.255619 (E_RNA)
where:
Base-Base interactions energy: -1263.789
where: short stacking energy: -562.320
Base-Backbone interact. energy: -3.594
local terms energy: -587.872669
where:
bonds (distance) C4'-P energy: -116.388
bonds (distance) P-C4' energy: -125.918
flat angles C4'-P-C4' energy: -133.693
flat angles P-C4'-P energy: -77.959
tors. eta vs tors. theta energy: -133.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1672.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.844118 (E_RNA)
where:
Base-Base interactions energy: -1158.571
where: short stacking energy: -487.652
Base-Backbone interact. energy: 0.052
local terms energy: -514.325268
where:
bonds (distance) C4'-P energy: -115.240
bonds (distance) P-C4' energy: -112.797
flat angles C4'-P-C4' energy: -110.419
flat angles P-C4'-P energy: -74.641
tors. eta vs tors. theta energy: -101.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1227.750717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.750717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.750717 (E_RNA)
where:
Base-Base interactions energy: -786.710
where: short stacking energy: -358.501
Base-Backbone interact. energy: -0.980
local terms energy: -440.060642
where:
bonds (distance) C4'-P energy: -120.188
bonds (distance) P-C4' energy: -84.352
flat angles C4'-P-C4' energy: -105.137
flat angles P-C4'-P energy: -70.785
tors. eta vs tors. theta energy: -59.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -908.287147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.287147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.287147 (E_RNA)
where:
Base-Base interactions energy: -535.289
where: short stacking energy: -264.286
Base-Backbone interact. energy: 7.127
local terms energy: -380.124914
where:
bonds (distance) C4'-P energy: -99.958
bonds (distance) P-C4' energy: -115.264
flat angles C4'-P-C4' energy: -95.980
flat angles P-C4'-P energy: -58.632
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: 1, replica: 5
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2558.815241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.815241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.815241 (E_RNA)
where:
Base-Base interactions energy: -1793.252
where: short stacking energy: -769.581
Base-Backbone interact. energy: -3.647
local terms energy: -761.915444
where:
bonds (distance) C4'-P energy: -135.114
bonds (distance) P-C4' energy: -139.857
flat angles C4'-P-C4' energy: -158.509
flat angles P-C4'-P energy: -105.538
tors. eta vs tors. theta energy: -222.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2507.256436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.256436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.256436 (E_RNA)
where:
Base-Base interactions energy: -1781.749
where: short stacking energy: -730.348
Base-Backbone interact. energy: -4.744
local terms energy: -720.763112
where:
bonds (distance) C4'-P energy: -133.028
bonds (distance) P-C4' energy: -136.120
flat angles C4'-P-C4' energy: -150.671
flat angles P-C4'-P energy: -106.591
tors. eta vs tors. theta energy: -194.352
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2420.827173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.827173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.827173 (E_RNA)
where:
Base-Base interactions energy: -1748.075
where: short stacking energy: -721.204
Base-Backbone interact. energy: 1.145
local terms energy: -673.897337
where:
bonds (distance) C4'-P energy: -119.825
bonds (distance) P-C4' energy: -128.043
flat angles C4'-P-C4' energy: -150.707
flat angles P-C4'-P energy: -85.692
tors. eta vs tors. theta energy: -189.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2371.654130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.654130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.654130 (E_RNA)
where:
Base-Base interactions energy: -1652.767
where: short stacking energy: -702.499
Base-Backbone interact. energy: -2.036
local terms energy: -716.850462
where:
bonds (distance) C4'-P energy: -137.634
bonds (distance) P-C4' energy: -134.250
flat angles C4'-P-C4' energy: -160.884
flat angles P-C4'-P energy: -77.874
tors. eta vs tors. theta energy: -206.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2188.291066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.291066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.291066 (E_RNA)
where:
Base-Base interactions energy: -1553.191
where: short stacking energy: -630.980
Base-Backbone interact. energy: -3.718
local terms energy: -631.381818
where:
bonds (distance) C4'-P energy: -108.846
bonds (distance) P-C4' energy: -119.479
flat angles C4'-P-C4' energy: -140.114
flat angles P-C4'-P energy: -96.626
tors. eta vs tors. theta energy: -166.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2040.793370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.793370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.793370 (E_RNA)
where:
Base-Base interactions energy: -1428.463
where: short stacking energy: -601.791
Base-Backbone interact. energy: -1.079
local terms energy: -611.251349
where:
bonds (distance) C4'-P energy: -97.853
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -134.368
flat angles P-C4'-P energy: -96.738
tors. eta vs tors. theta energy: -161.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1825.196665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.196665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.196665 (E_RNA)
where:
Base-Base interactions energy: -1280.101
where: short stacking energy: -524.131
Base-Backbone interact. energy: -1.112
local terms energy: -543.984576
where:
bonds (distance) C4'-P energy: -121.047
bonds (distance) P-C4' energy: -116.084
flat angles C4'-P-C4' energy: -104.706
flat angles P-C4'-P energy: -86.090
tors. eta vs tors. theta energy: -116.057
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: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1702.196308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.196308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.196308 (E_RNA)
where:
Base-Base interactions energy: -1172.923
where: short stacking energy: -471.907
Base-Backbone interact. energy: 7.810
local terms energy: -537.083991
where:
bonds (distance) C4'-P energy: -108.317
bonds (distance) P-C4' energy: -133.294
flat angles C4'-P-C4' energy: -111.648
flat angles P-C4'-P energy: -77.891
tors. eta vs tors. theta energy: -105.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1224.484077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.484077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.484077 (E_RNA)
where:
Base-Base interactions energy: -799.989
where: short stacking energy: -339.239
Base-Backbone interact. energy: 7.597
local terms energy: -432.091652
where:
bonds (distance) C4'-P energy: -115.434
bonds (distance) P-C4' energy: -96.147
flat angles C4'-P-C4' energy: -103.720
flat angles P-C4'-P energy: -66.122
tors. eta vs tors. theta energy: -50.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -895.062230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.062230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.062230 (E_RNA)
where:
Base-Base interactions energy: -527.140
where: short stacking energy: -295.872
Base-Backbone interact. energy: 1.232
local terms energy: -369.154191
where:
bonds (distance) C4'-P energy: -98.132
bonds (distance) P-C4' energy: -117.265
flat angles C4'-P-C4' energy: -73.077
flat angles P-C4'-P energy: -50.121
tors. eta vs tors. theta energy: -30.559
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: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2577.993334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.993334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.993334 (E_RNA)
where:
Base-Base interactions energy: -1813.889
where: short stacking energy: -767.948
Base-Backbone interact. energy: -6.259
local terms energy: -757.845101
where:
bonds (distance) C4'-P energy: -136.192
bonds (distance) P-C4' energy: -141.190
flat angles C4'-P-C4' energy: -158.325
flat angles P-C4'-P energy: -105.695
tors. eta vs tors. theta energy: -216.444
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: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2528.212125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.212125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.212125 (E_RNA)
where:
Base-Base interactions energy: -1776.874
where: short stacking energy: -736.776
Base-Backbone interact. energy: 3.709
local terms energy: -755.046455
where:
bonds (distance) C4'-P energy: -150.152
bonds (distance) P-C4' energy: -129.516
flat angles C4'-P-C4' energy: -165.005
flat angles P-C4'-P energy: -109.364
tors. eta vs tors. theta energy: -201.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2448.169163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.169163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.169163 (E_RNA)
where:
Base-Base interactions energy: -1758.983
where: short stacking energy: -726.995
Base-Backbone interact. energy: -3.416
local terms energy: -685.769798
where:
bonds (distance) C4'-P energy: -116.398
bonds (distance) P-C4' energy: -133.697
flat angles C4'-P-C4' energy: -152.902
flat angles P-C4'-P energy: -90.431
tors. eta vs tors. theta energy: -192.341
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: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2371.315819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.315819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.315819 (E_RNA)
where:
Base-Base interactions energy: -1669.409
where: short stacking energy: -704.219
Base-Backbone interact. energy: -3.357
local terms energy: -698.550132
where:
bonds (distance) C4'-P energy: -130.538
bonds (distance) P-C4' energy: -130.821
flat angles C4'-P-C4' energy: -152.540
flat angles P-C4'-P energy: -79.535
tors. eta vs tors. theta energy: -205.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2222.227361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.227361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.227361 (E_RNA)
where:
Base-Base interactions energy: -1549.476
where: short stacking energy: -682.794
Base-Backbone interact. energy: -1.378
local terms energy: -671.372636
where:
bonds (distance) C4'-P energy: -107.683
bonds (distance) P-C4' energy: -120.749
flat angles C4'-P-C4' energy: -165.284
flat angles P-C4'-P energy: -89.122
tors. eta vs tors. theta energy: -188.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2101.624027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.624027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.624027 (E_RNA)
where:
Base-Base interactions energy: -1428.049
where: short stacking energy: -636.726
Base-Backbone interact. energy: -1.398
local terms energy: -672.177426
where:
bonds (distance) C4'-P energy: -117.157
bonds (distance) P-C4' energy: -137.037
flat angles C4'-P-C4' energy: -149.770
flat angles P-C4'-P energy: -101.489
tors. eta vs tors. theta energy: -166.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1836.695131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.695131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.695131 (E_RNA)
where:
Base-Base interactions energy: -1259.972
where: short stacking energy: -555.468
Base-Backbone interact. energy: -0.254
local terms energy: -576.469675
where:
bonds (distance) C4'-P energy: -106.814
bonds (distance) P-C4' energy: -116.863
flat angles C4'-P-C4' energy: -133.793
flat angles P-C4'-P energy: -78.890
tors. eta vs tors. theta energy: -140.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1621.770092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.770092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.770092 (E_RNA)
where:
Base-Base interactions energy: -1108.620
where: short stacking energy: -487.197
Base-Backbone interact. energy: -1.773
local terms energy: -511.377497
where:
bonds (distance) C4'-P energy: -95.524
bonds (distance) P-C4' energy: -120.059
flat angles C4'-P-C4' energy: -131.607
flat angles P-C4'-P energy: -54.555
tors. eta vs tors. theta energy: -109.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1277.687379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.687379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.687379 (E_RNA)
where:
Base-Base interactions energy: -827.302
where: short stacking energy: -389.996
Base-Backbone interact. energy: -0.829
local terms energy: -449.556250
where:
bonds (distance) C4'-P energy: -108.717
bonds (distance) P-C4' energy: -113.827
flat angles C4'-P-C4' energy: -104.949
flat angles P-C4'-P energy: -66.365
tors. eta vs tors. theta energy: -55.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -941.850090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.850090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.850090 (E_RNA)
where:
Base-Base interactions energy: -527.080
where: short stacking energy: -302.635
Base-Backbone interact. energy: 0.593
local terms energy: -415.362857
where:
bonds (distance) C4'-P energy: -113.881
bonds (distance) P-C4' energy: -120.074
flat angles C4'-P-C4' energy: -105.847
flat angles P-C4'-P energy: -52.788
tors. eta vs tors. theta energy: -22.773
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: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2580.555089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.555089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.555089 (E_RNA)
where:
Base-Base interactions energy: -1824.687
where: short stacking energy: -791.578
Base-Backbone interact. energy: -3.008
local terms energy: -752.860371
where:
bonds (distance) C4'-P energy: -144.781
bonds (distance) P-C4' energy: -136.728
flat angles C4'-P-C4' energy: -156.002
flat angles P-C4'-P energy: -101.735
tors. eta vs tors. theta energy: -213.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2538.662445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.662445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.662445 (E_RNA)
where:
Base-Base interactions energy: -1787.806
where: short stacking energy: -740.707
Base-Backbone interact. energy: -6.792
local terms energy: -744.064604
where:
bonds (distance) C4'-P energy: -127.682
bonds (distance) P-C4' energy: -146.810
flat angles C4'-P-C4' energy: -159.466
flat angles P-C4'-P energy: -108.733
tors. eta vs tors. theta energy: -201.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2432.018535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.018535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.018535 (E_RNA)
where:
Base-Base interactions energy: -1740.189
where: short stacking energy: -688.647
Base-Backbone interact. energy: -2.093
local terms energy: -689.736347
where:
bonds (distance) C4'-P energy: -139.181
bonds (distance) P-C4' energy: -123.399
flat angles C4'-P-C4' energy: -136.254
flat angles P-C4'-P energy: -96.132
tors. eta vs tors. theta energy: -194.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2381.479276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.479276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.479276 (E_RNA)
where:
Base-Base interactions energy: -1697.150
where: short stacking energy: -705.203
Base-Backbone interact. energy: -0.952
local terms energy: -683.377594
where:
bonds (distance) C4'-P energy: -111.873
bonds (distance) P-C4' energy: -136.935
flat angles C4'-P-C4' energy: -149.062
flat angles P-C4'-P energy: -83.597
tors. eta vs tors. theta energy: -201.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2186.002851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.002851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.002851 (E_RNA)
where:
Base-Base interactions energy: -1546.631
where: short stacking energy: -679.497
Base-Backbone interact. energy: 1.772
local terms energy: -641.143898
where:
bonds (distance) C4'-P energy: -136.631
bonds (distance) P-C4' energy: -107.075
flat angles C4'-P-C4' energy: -128.003
flat angles P-C4'-P energy: -91.926
tors. eta vs tors. theta energy: -177.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -2093.558032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.558032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.558032 (E_RNA)
where:
Base-Base interactions energy: -1440.825
where: short stacking energy: -623.053
Base-Backbone interact. energy: -1.282
local terms energy: -651.451513
where:
bonds (distance) C4'-P energy: -114.639
bonds (distance) P-C4' energy: -124.459
flat angles C4'-P-C4' energy: -144.894
flat angles P-C4'-P energy: -98.996
tors. eta vs tors. theta energy: -168.464
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: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1806.889689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.889689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.889689 (E_RNA)
where:
Base-Base interactions energy: -1190.167
where: short stacking energy: -493.929
Base-Backbone interact. energy: 2.693
local terms energy: -619.414889
where:
bonds (distance) C4'-P energy: -118.756
bonds (distance) P-C4' energy: -137.746
flat angles C4'-P-C4' energy: -139.579
flat angles P-C4'-P energy: -89.182
tors. eta vs tors. theta energy: -134.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1570.476564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.476564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.476564 (E_RNA)
where:
Base-Base interactions energy: -1059.876
where: short stacking energy: -460.367
Base-Backbone interact. energy: -2.431
local terms energy: -508.169784
where:
bonds (distance) C4'-P energy: -111.422
bonds (distance) P-C4' energy: -107.263
flat angles C4'-P-C4' energy: -132.327
flat angles P-C4'-P energy: -66.528
tors. eta vs tors. theta energy: -90.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1242.839111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.839111 (E_RNA)
where:
Base-Base interactions energy: -797.503
where: short stacking energy: -377.826
Base-Backbone interact. energy: 3.120
local terms energy: -448.456040
where:
bonds (distance) C4'-P energy: -101.900
bonds (distance) P-C4' energy: -119.951
flat angles C4'-P-C4' energy: -107.853
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -54.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -910.303000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.303000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.303000 (E_RNA)
where:
Base-Base interactions energy: -520.190
where: short stacking energy: -229.687
Base-Backbone interact. energy: 0.888
local terms energy: -391.000709
where:
bonds (distance) C4'-P energy: -89.559
bonds (distance) P-C4' energy: -122.832
flat angles C4'-P-C4' energy: -108.119
flat angles P-C4'-P energy: -67.580
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2589.060107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.060107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.060107 (E_RNA)
where:
Base-Base interactions energy: -1805.422
where: short stacking energy: -755.447
Base-Backbone interact. energy: -3.152
local terms energy: -780.485708
where:
bonds (distance) C4'-P energy: -152.833
bonds (distance) P-C4' energy: -158.151
flat angles C4'-P-C4' energy: -153.857
flat angles P-C4'-P energy: -97.203
tors. eta vs tors. theta energy: -218.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2508.697315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.697315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.697315 (E_RNA)
where:
Base-Base interactions energy: -1776.949
where: short stacking energy: -735.991
Base-Backbone interact. energy: -6.199
local terms energy: -725.549161
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -146.694
flat angles C4'-P-C4' energy: -154.427
flat angles P-C4'-P energy: -96.220
tors. eta vs tors. theta energy: -200.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2421.339939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.339939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.339939 (E_RNA)
where:
Base-Base interactions energy: -1722.610
where: short stacking energy: -719.227
Base-Backbone interact. energy: 4.064
local terms energy: -702.794710
where:
bonds (distance) C4'-P energy: -116.501
bonds (distance) P-C4' energy: -141.655
flat angles C4'-P-C4' energy: -157.661
flat angles P-C4'-P energy: -94.898
tors. eta vs tors. theta energy: -192.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2413.034175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.034175 (E_RNA)
where:
Base-Base interactions energy: -1691.224
where: short stacking energy: -697.901
Base-Backbone interact. energy: -3.430
local terms energy: -718.380670
where:
bonds (distance) C4'-P energy: -129.010
bonds (distance) P-C4' energy: -137.320
flat angles C4'-P-C4' energy: -149.355
flat angles P-C4'-P energy: -99.452
tors. eta vs tors. theta energy: -203.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2160.232624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.232624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.232624 (E_RNA)
where:
Base-Base interactions energy: -1519.872
where: short stacking energy: -644.362
Base-Backbone interact. energy: 0.517
local terms energy: -640.877317
where:
bonds (distance) C4'-P energy: -113.807
bonds (distance) P-C4' energy: -122.780
flat angles C4'-P-C4' energy: -137.188
flat angles P-C4'-P energy: -87.218
tors. eta vs tors. theta energy: -179.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -2121.826478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.826478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.826478 (E_RNA)
where:
Base-Base interactions energy: -1463.187
where: short stacking energy: -665.531
Base-Backbone interact. energy: -2.953
local terms energy: -655.686545
where:
bonds (distance) C4'-P energy: -123.811
bonds (distance) P-C4' energy: -117.534
flat angles C4'-P-C4' energy: -148.265
flat angles P-C4'-P energy: -82.971
tors. eta vs tors. theta energy: -183.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1822.418944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.418944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.418944 (E_RNA)
where:
Base-Base interactions energy: -1270.168
where: short stacking energy: -530.539
Base-Backbone interact. energy: 0.817
local terms energy: -553.068016
where:
bonds (distance) C4'-P energy: -103.939
bonds (distance) P-C4' energy: -131.172
flat angles C4'-P-C4' energy: -116.735
flat angles P-C4'-P energy: -71.895
tors. eta vs tors. theta energy: -129.326
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: 1
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1618.732267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.732267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.732267 (E_RNA)
where:
Base-Base interactions energy: -1070.741
where: short stacking energy: -466.048
Base-Backbone interact. energy: -3.142
local terms energy: -544.848876
where:
bonds (distance) C4'-P energy: -121.586
bonds (distance) P-C4' energy: -126.445
flat angles C4'-P-C4' energy: -118.433
flat angles P-C4'-P energy: -94.022
tors. eta vs tors. theta energy: -84.362
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: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1310.693907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.693907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.693907 (E_RNA)
where:
Base-Base interactions energy: -807.575
where: short stacking energy: -371.907
Base-Backbone interact. energy: 4.600
local terms energy: -507.718559
where:
bonds (distance) C4'-P energy: -126.629
bonds (distance) P-C4' energy: -117.508
flat angles C4'-P-C4' energy: -116.550
flat angles P-C4'-P energy: -75.173
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: 10, replica: 8
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -1011.246256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.246256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.246256 (E_RNA)
where:
Base-Base interactions energy: -605.024
where: short stacking energy: -299.049
Base-Backbone interact. energy: -1.717
local terms energy: -404.505730
where:
bonds (distance) C4'-P energy: -97.734
bonds (distance) P-C4' energy: -114.290
flat angles C4'-P-C4' energy: -105.315
flat angles P-C4'-P energy: -60.260
tors. eta vs tors. theta energy: -26.907
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: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2586.289408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.289408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.289408 (E_RNA)
where:
Base-Base interactions energy: -1836.236
where: short stacking energy: -774.469
Base-Backbone interact. energy: -1.666
local terms energy: -748.387771
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -146.131
flat angles C4'-P-C4' energy: -145.204
flat angles P-C4'-P energy: -105.683
tors. eta vs tors. theta energy: -221.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2523.283158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.283158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.283158 (E_RNA)
where:
Base-Base interactions energy: -1771.031
where: short stacking energy: -731.090
Base-Backbone interact. energy: 0.176
local terms energy: -752.427771
where:
bonds (distance) C4'-P energy: -131.003
bonds (distance) P-C4' energy: -145.390
flat angles C4'-P-C4' energy: -159.963
flat angles P-C4'-P energy: -114.138
tors. eta vs tors. theta energy: -201.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2440.562387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.562387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.562387 (E_RNA)
where:
Base-Base interactions energy: -1745.894
where: short stacking energy: -716.376
Base-Backbone interact. energy: 4.220
local terms energy: -698.888445
where:
bonds (distance) C4'-P energy: -134.831
bonds (distance) P-C4' energy: -124.785
flat angles C4'-P-C4' energy: -157.508
flat angles P-C4'-P energy: -90.681
tors. eta vs tors. theta energy: -191.083
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: 2
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2406.516796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.516796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.516796 (E_RNA)
where:
Base-Base interactions energy: -1702.762
where: short stacking energy: -694.817
Base-Backbone interact. energy: -0.998
local terms energy: -702.756756
where:
bonds (distance) C4'-P energy: -117.920
bonds (distance) P-C4' energy: -132.715
flat angles C4'-P-C4' energy: -153.168
flat angles P-C4'-P energy: -98.950
tors. eta vs tors. theta energy: -200.004
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: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2236.024457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.024457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.024457 (E_RNA)
where:
Base-Base interactions energy: -1541.583
where: short stacking energy: -688.119
Base-Backbone interact. energy: -2.063
local terms energy: -692.378496
where:
bonds (distance) C4'-P energy: -108.443
bonds (distance) P-C4' energy: -142.713
flat angles C4'-P-C4' energy: -148.890
flat angles P-C4'-P energy: -99.398
tors. eta vs tors. theta energy: -192.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -2082.542104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.542104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.542104 (E_RNA)
where:
Base-Base interactions energy: -1452.260
where: short stacking energy: -611.490
Base-Backbone interact. energy: 2.445
local terms energy: -632.727017
where:
bonds (distance) C4'-P energy: -112.847
bonds (distance) P-C4' energy: -118.137
flat angles C4'-P-C4' energy: -128.331
flat angles P-C4'-P energy: -98.101
tors. eta vs tors. theta energy: -175.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1764.966177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.966177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.966177 (E_RNA)
where:
Base-Base interactions energy: -1217.441
where: short stacking energy: -496.038
Base-Backbone interact. energy: 0.171
local terms energy: -547.695871
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -113.947
flat angles C4'-P-C4' energy: -129.285
flat angles P-C4'-P energy: -83.064
tors. eta vs tors. theta energy: -114.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1568.516739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.516739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.516739 (E_RNA)
where:
Base-Base interactions energy: -1064.531
where: short stacking energy: -461.840
Base-Backbone interact. energy: -1.421
local terms energy: -502.564928
where:
bonds (distance) C4'-P energy: -103.590
bonds (distance) P-C4' energy: -109.778
flat angles C4'-P-C4' energy: -124.599
flat angles P-C4'-P energy: -56.719
tors. eta vs tors. theta energy: -107.877
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: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1289.330557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.330557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.330557 (E_RNA)
where:
Base-Base interactions energy: -804.630
where: short stacking energy: -368.150
Base-Backbone interact. energy: -4.360
local terms energy: -480.340738
where:
bonds (distance) C4'-P energy: -112.436
bonds (distance) P-C4' energy: -115.123
flat angles C4'-P-C4' energy: -109.319
flat angles P-C4'-P energy: -96.793
tors. eta vs tors. theta energy: -46.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -975.771805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.771805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.771805 (E_RNA)
where:
Base-Base interactions energy: -596.320
where: short stacking energy: -285.943
Base-Backbone interact. energy: 5.219
local terms energy: -384.670641
where:
bonds (distance) C4'-P energy: -100.044
bonds (distance) P-C4' energy: -118.450
flat angles C4'-P-C4' energy: -98.645
flat angles P-C4'-P energy: -54.286
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2585.094956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.094956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.094956 (E_RNA)
where:
Base-Base interactions energy: -1815.161
where: short stacking energy: -775.956
Base-Backbone interact. energy: -3.435
local terms energy: -766.499500
where:
bonds (distance) C4'-P energy: -130.455
bonds (distance) P-C4' energy: -133.487
flat angles C4'-P-C4' energy: -155.088
flat angles P-C4'-P energy: -118.660
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: 7
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2517.866056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.866056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.866056 (E_RNA)
where:
Base-Base interactions energy: -1770.166
where: short stacking energy: -728.830
Base-Backbone interact. energy: -1.704
local terms energy: -745.996247
where:
bonds (distance) C4'-P energy: -141.565
bonds (distance) P-C4' energy: -142.473
flat angles C4'-P-C4' energy: -161.541
flat angles P-C4'-P energy: -101.835
tors. eta vs tors. theta energy: -198.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2454.462660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.462660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.462660 (E_RNA)
where:
Base-Base interactions energy: -1748.265
where: short stacking energy: -727.768
Base-Backbone interact. energy: -0.764
local terms energy: -705.433694
where:
bonds (distance) C4'-P energy: -126.603
bonds (distance) P-C4' energy: -133.919
flat angles C4'-P-C4' energy: -147.351
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -205.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2385.587149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.587149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.587149 (E_RNA)
where:
Base-Base interactions energy: -1701.309
where: short stacking energy: -713.040
Base-Backbone interact. energy: -1.708
local terms energy: -682.570440
where:
bonds (distance) C4'-P energy: -128.621
bonds (distance) P-C4' energy: -136.378
flat angles C4'-P-C4' energy: -140.800
flat angles P-C4'-P energy: -80.736
tors. eta vs tors. theta energy: -196.035
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: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2211.803160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.803160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.803160 (E_RNA)
where:
Base-Base interactions energy: -1565.748
where: short stacking energy: -678.850
Base-Backbone interact. energy: -3.664
local terms energy: -642.391392
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -125.431
flat angles C4'-P-C4' energy: -135.020
flat angles P-C4'-P energy: -93.192
tors. eta vs tors. theta energy: -177.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2104.987276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.987276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.987276 (E_RNA)
where:
Base-Base interactions energy: -1474.919
where: short stacking energy: -628.393
Base-Backbone interact. energy: 2.623
local terms energy: -632.691439
where:
bonds (distance) C4'-P energy: -120.515
bonds (distance) P-C4' energy: -111.758
flat angles C4'-P-C4' energy: -135.625
flat angles P-C4'-P energy: -91.866
tors. eta vs tors. theta energy: -172.928
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1752.848639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.848639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.848639 (E_RNA)
where:
Base-Base interactions energy: -1158.834
where: short stacking energy: -521.571
Base-Backbone interact. energy: 1.350
local terms energy: -595.365020
where:
bonds (distance) C4'-P energy: -118.029
bonds (distance) P-C4' energy: -138.411
flat angles C4'-P-C4' energy: -130.448
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -129.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1628.663167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.663167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.663167 (E_RNA)
where:
Base-Base interactions energy: -1084.897
where: short stacking energy: -451.746
Base-Backbone interact. energy: -0.456
local terms energy: -543.310654
where:
bonds (distance) C4'-P energy: -113.016
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -119.362
flat angles P-C4'-P energy: -81.661
tors. eta vs tors. theta energy: -108.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1253.606020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.606020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.606020 (E_RNA)
where:
Base-Base interactions energy: -793.167
where: short stacking energy: -351.191
Base-Backbone interact. energy: -0.464
local terms energy: -459.974969
where:
bonds (distance) C4'-P energy: -117.614
bonds (distance) P-C4' energy: -119.614
flat angles C4'-P-C4' energy: -95.009
flat angles P-C4'-P energy: -76.191
tors. eta vs tors. theta energy: -51.547
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: 10, replica: 8
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -971.389697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.389697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.389697 (E_RNA)
where:
Base-Base interactions energy: -595.566
where: short stacking energy: -310.758
Base-Backbone interact. energy: 1.154
local terms energy: -376.977998
where:
bonds (distance) C4'-P energy: -96.120
bonds (distance) P-C4' energy: -113.029
flat angles C4'-P-C4' energy: -83.966
flat angles P-C4'-P energy: -46.566
tors. eta vs tors. theta energy: -37.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2608.649246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.649246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.649246 (E_RNA)
where:
Base-Base interactions energy: -1840.981
where: short stacking energy: -788.309
Base-Backbone interact. energy: -1.930
local terms energy: -765.738031
where:
bonds (distance) C4'-P energy: -138.543
bonds (distance) P-C4' energy: -143.222
flat angles C4'-P-C4' energy: -154.021
flat angles P-C4'-P energy: -113.984
tors. eta vs tors. theta energy: -215.968
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: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2533.142353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.142353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.142353 (E_RNA)
where:
Base-Base interactions energy: -1776.308
where: short stacking energy: -734.826
Base-Backbone interact. energy: 0.052
local terms energy: -756.886410
where:
bonds (distance) C4'-P energy: -150.161
bonds (distance) P-C4' energy: -138.564
flat angles C4'-P-C4' energy: -159.180
flat angles P-C4'-P energy: -114.782
tors. eta vs tors. theta energy: -194.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2444.298072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.298072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.298072 (E_RNA)
where:
Base-Base interactions energy: -1753.803
where: short stacking energy: -700.861
Base-Backbone interact. energy: -0.981
local terms energy: -689.513820
where:
bonds (distance) C4'-P energy: -114.168
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -151.945
flat angles P-C4'-P energy: -94.349
tors. eta vs tors. theta energy: -196.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2383.582799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.582799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.582799 (E_RNA)
where:
Base-Base interactions energy: -1705.745
where: short stacking energy: -700.775
Base-Backbone interact. energy: -5.578
local terms energy: -672.259541
where:
bonds (distance) C4'-P energy: -100.791
bonds (distance) P-C4' energy: -123.843
flat angles C4'-P-C4' energy: -143.344
flat angles P-C4'-P energy: -109.002
tors. eta vs tors. theta energy: -195.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2198.753305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.753305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.753305 (E_RNA)
where:
Base-Base interactions energy: -1544.461
where: short stacking energy: -643.746
Base-Backbone interact. energy: -3.274
local terms energy: -651.018100
where:
bonds (distance) C4'-P energy: -130.024
bonds (distance) P-C4' energy: -130.713
flat angles C4'-P-C4' energy: -129.372
flat angles P-C4'-P energy: -78.952
tors. eta vs tors. theta energy: -181.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -2110.362155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.362155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.362155 (E_RNA)
where:
Base-Base interactions energy: -1427.453
where: short stacking energy: -638.757
Base-Backbone interact. energy: -1.644
local terms energy: -681.265203
where:
bonds (distance) C4'-P energy: -125.343
bonds (distance) P-C4' energy: -126.087
flat angles C4'-P-C4' energy: -148.452
flat angles P-C4'-P energy: -101.286
tors. eta vs tors. theta energy: -180.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1851.462957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.462957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.462957 (E_RNA)
where:
Base-Base interactions energy: -1265.477
where: short stacking energy: -548.229
Base-Backbone interact. energy: 1.087
local terms energy: -587.073070
where:
bonds (distance) C4'-P energy: -100.183
bonds (distance) P-C4' energy: -126.345
flat angles C4'-P-C4' energy: -137.626
flat angles P-C4'-P energy: -85.973
tors. eta vs tors. theta energy: -136.946
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1546.710322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.710322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.710322 (E_RNA)
where:
Base-Base interactions energy: -1026.408
where: short stacking energy: -442.872
Base-Backbone interact. energy: -3.334
local terms energy: -516.968663
where:
bonds (distance) C4'-P energy: -101.125
bonds (distance) P-C4' energy: -134.413
flat angles C4'-P-C4' energy: -132.017
flat angles P-C4'-P energy: -60.741
tors. eta vs tors. theta energy: -88.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1232.740441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.740441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.740441 (E_RNA)
where:
Base-Base interactions energy: -777.235
where: short stacking energy: -389.220
Base-Backbone interact. energy: -0.583
local terms energy: -454.922893
where:
bonds (distance) C4'-P energy: -98.666
bonds (distance) P-C4' energy: -113.893
flat angles C4'-P-C4' energy: -125.899
flat angles P-C4'-P energy: -60.703
tors. eta vs tors. theta energy: -55.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -958.726942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.726942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.726942 (E_RNA)
where:
Base-Base interactions energy: -583.838
where: short stacking energy: -321.035
Base-Backbone interact. energy: 1.724
local terms energy: -376.613522
where:
bonds (distance) C4'-P energy: -85.372
bonds (distance) P-C4' energy: -103.987
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -72.669
tors. eta vs tors. theta energy: -16.811
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: 5
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2572.137707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.137707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.137707 (E_RNA)
where:
Base-Base interactions energy: -1815.975
where: short stacking energy: -780.003
Base-Backbone interact. energy: 0.529
local terms energy: -756.690742
where:
bonds (distance) C4'-P energy: -133.312
bonds (distance) P-C4' energy: -137.792
flat angles C4'-P-C4' energy: -165.883
flat angles P-C4'-P energy: -101.402
tors. eta vs tors. theta energy: -218.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2551.998553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.998553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.998553 (E_RNA)
where:
Base-Base interactions energy: -1814.799
where: short stacking energy: -760.694
Base-Backbone interact. energy: -4.632
local terms energy: -732.566745
where:
bonds (distance) C4'-P energy: -134.713
bonds (distance) P-C4' energy: -124.289
flat angles C4'-P-C4' energy: -155.076
flat angles P-C4'-P energy: -118.301
tors. eta vs tors. theta energy: -200.188
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: 340
Temperature: 1.000000
Total energy: -2446.369041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.369041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.369041 (E_RNA)
where:
Base-Base interactions energy: -1768.330
where: short stacking energy: -713.186
Base-Backbone interact. energy: 0.330
local terms energy: -678.368610
where:
bonds (distance) C4'-P energy: -109.465
bonds (distance) P-C4' energy: -131.571
flat angles C4'-P-C4' energy: -139.480
flat angles P-C4'-P energy: -100.709
tors. eta vs tors. theta energy: -197.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2318.551671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.551671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.551671 (E_RNA)
where:
Base-Base interactions energy: -1647.264
where: short stacking energy: -687.791
Base-Backbone interact. energy: -3.224
local terms energy: -668.064249
where:
bonds (distance) C4'-P energy: -112.337
bonds (distance) P-C4' energy: -130.563
flat angles C4'-P-C4' energy: -154.227
flat angles P-C4'-P energy: -87.485
tors. eta vs tors. theta energy: -183.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2204.203547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.203547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.203547 (E_RNA)
where:
Base-Base interactions energy: -1565.191
where: short stacking energy: -678.932
Base-Backbone interact. energy: 0.711
local terms energy: -639.723328
where:
bonds (distance) C4'-P energy: -111.512
bonds (distance) P-C4' energy: -129.112
flat angles C4'-P-C4' energy: -131.566
flat angles P-C4'-P energy: -90.320
tors. eta vs tors. theta energy: -177.213
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: 340
Temperature: 1.150000
Total energy: -2097.183299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.183299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.183299 (E_RNA)
where:
Base-Base interactions energy: -1434.898
where: short stacking energy: -624.886
Base-Backbone interact. energy: -1.117
local terms energy: -661.168181
where:
bonds (distance) C4'-P energy: -130.007
bonds (distance) P-C4' energy: -121.430
flat angles C4'-P-C4' energy: -134.248
flat angles P-C4'-P energy: -93.668
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: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1830.351623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.351623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.351623 (E_RNA)
where:
Base-Base interactions energy: -1260.044
where: short stacking energy: -529.528
Base-Backbone interact. energy: -3.895
local terms energy: -566.412895
where:
bonds (distance) C4'-P energy: -94.245
bonds (distance) P-C4' energy: -122.202
flat angles C4'-P-C4' energy: -127.370
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -134.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1518.908677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.908677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.908677 (E_RNA)
where:
Base-Base interactions energy: -1003.062
where: short stacking energy: -436.050
Base-Backbone interact. energy: -2.501
local terms energy: -513.346171
where:
bonds (distance) C4'-P energy: -100.140
bonds (distance) P-C4' energy: -109.637
flat angles C4'-P-C4' energy: -139.916
flat angles P-C4'-P energy: -73.087
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1254.762255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.762255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.762255 (E_RNA)
where:
Base-Base interactions energy: -776.448
where: short stacking energy: -357.300
Base-Backbone interact. energy: 2.418
local terms energy: -480.731847
where:
bonds (distance) C4'-P energy: -102.893
bonds (distance) P-C4' energy: -133.520
flat angles C4'-P-C4' energy: -111.507
flat angles P-C4'-P energy: -75.919
tors. eta vs tors. theta energy: -56.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -953.568803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.568803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.568803 (E_RNA)
where:
Base-Base interactions energy: -539.922
where: short stacking energy: -284.074
Base-Backbone interact. energy: 0.482
local terms energy: -414.129416
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -120.114
flat angles C4'-P-C4' energy: -92.550
flat angles P-C4'-P energy: -83.804
tors. eta vs tors. theta energy: -10.523
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: 5
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2569.497539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.497539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.497539 (E_RNA)
where:
Base-Base interactions energy: -1805.663
where: short stacking energy: -777.848
Base-Backbone interact. energy: -1.778
local terms energy: -762.057520
where:
bonds (distance) C4'-P energy: -140.807
bonds (distance) P-C4' energy: -144.654
flat angles C4'-P-C4' energy: -160.835
flat angles P-C4'-P energy: -97.737
tors. eta vs tors. theta energy: -218.025
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: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2552.521876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.521876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.521876 (E_RNA)
where:
Base-Base interactions energy: -1819.980
where: short stacking energy: -740.138
Base-Backbone interact. energy: -3.616
local terms energy: -728.925444
where:
bonds (distance) C4'-P energy: -130.926
bonds (distance) P-C4' energy: -143.743
flat angles C4'-P-C4' energy: -162.378
flat angles P-C4'-P energy: -95.874
tors. eta vs tors. theta energy: -196.005
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: 341
Temperature: 1.000000
Total energy: -2468.168093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.168093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.168093 (E_RNA)
where:
Base-Base interactions energy: -1769.199
where: short stacking energy: -719.872
Base-Backbone interact. energy: -2.749
local terms energy: -696.220048
where:
bonds (distance) C4'-P energy: -125.364
bonds (distance) P-C4' energy: -128.241
flat angles C4'-P-C4' energy: -152.084
flat angles P-C4'-P energy: -97.733
tors. eta vs tors. theta energy: -192.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2360.690898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.690898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.690898 (E_RNA)
where:
Base-Base interactions energy: -1682.383
where: short stacking energy: -692.541
Base-Backbone interact. energy: -7.135
local terms energy: -671.173190
where:
bonds (distance) C4'-P energy: -119.432
bonds (distance) P-C4' energy: -122.854
flat angles C4'-P-C4' energy: -146.679
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -188.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2182.483091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.483091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.483091 (E_RNA)
where:
Base-Base interactions energy: -1547.589
where: short stacking energy: -643.490
Base-Backbone interact. energy: -3.886
local terms energy: -631.007841
where:
bonds (distance) C4'-P energy: -123.183
bonds (distance) P-C4' energy: -115.779
flat angles C4'-P-C4' energy: -132.107
flat angles P-C4'-P energy: -88.240
tors. eta vs tors. theta energy: -171.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -2070.043942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.043942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.043942 (E_RNA)
where:
Base-Base interactions energy: -1427.856
where: short stacking energy: -647.885
Base-Backbone interact. energy: -2.032
local terms energy: -640.156449
where:
bonds (distance) C4'-P energy: -118.410
bonds (distance) P-C4' energy: -126.068
flat angles C4'-P-C4' energy: -130.005
flat angles P-C4'-P energy: -95.004
tors. eta vs tors. theta energy: -170.669
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1862.376668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.376668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.376668 (E_RNA)
where:
Base-Base interactions energy: -1285.094
where: short stacking energy: -539.210
Base-Backbone interact. energy: -0.725
local terms energy: -576.558560
where:
bonds (distance) C4'-P energy: -119.140
bonds (distance) P-C4' energy: -127.463
flat angles C4'-P-C4' energy: -123.946
flat angles P-C4'-P energy: -86.349
tors. eta vs tors. theta energy: -119.660
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: 1
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1461.622364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.622364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.622364 (E_RNA)
where:
Base-Base interactions energy: -972.451
where: short stacking energy: -423.844
Base-Backbone interact. energy: 2.780
local terms energy: -491.950755
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -112.680
flat angles C4'-P-C4' energy: -112.106
flat angles P-C4'-P energy: -88.585
tors. eta vs tors. theta energy: -80.201
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1247.791011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.791011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.791011 (E_RNA)
where:
Base-Base interactions energy: -766.078
where: short stacking energy: -337.674
Base-Backbone interact. energy: 1.330
local terms energy: -483.043046
where:
bonds (distance) C4'-P energy: -119.546
bonds (distance) P-C4' energy: -109.602
flat angles C4'-P-C4' energy: -125.695
flat angles P-C4'-P energy: -80.464
tors. eta vs tors. theta energy: -47.736
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: 10, replica: 8
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -917.747301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.747301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.747301 (E_RNA)
where:
Base-Base interactions energy: -532.884
where: short stacking energy: -268.883
Base-Backbone interact. energy: -1.111
local terms energy: -383.752193
where:
bonds (distance) C4'-P energy: -86.736
bonds (distance) P-C4' energy: -120.365
flat angles C4'-P-C4' energy: -93.670
flat angles P-C4'-P energy: -51.720
tors. eta vs tors. theta energy: -31.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -2569.830027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.830027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.830027 (E_RNA)
where:
Base-Base interactions energy: -1817.001
where: short stacking energy: -799.488
Base-Backbone interact. energy: 4.269
local terms energy: -757.098550
where:
bonds (distance) C4'-P energy: -122.145
bonds (distance) P-C4' energy: -139.942
flat angles C4'-P-C4' energy: -158.522
flat angles P-C4'-P energy: -113.334
tors. eta vs tors. theta energy: -223.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2548.323094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.323094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.323094 (E_RNA)
where:
Base-Base interactions energy: -1811.976
where: short stacking energy: -750.622
Base-Backbone interact. energy: 1.266
local terms energy: -737.613994
where:
bonds (distance) C4'-P energy: -137.434
bonds (distance) P-C4' energy: -129.559
flat angles C4'-P-C4' energy: -153.180
flat angles P-C4'-P energy: -115.584
tors. eta vs tors. theta energy: -201.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2434.096721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.096721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.096721 (E_RNA)
where:
Base-Base interactions energy: -1771.542
where: short stacking energy: -723.028
Base-Backbone interact. energy: -3.426
local terms energy: -659.128557
where:
bonds (distance) C4'-P energy: -120.980
bonds (distance) P-C4' energy: -120.117
flat angles C4'-P-C4' energy: -146.869
flat angles P-C4'-P energy: -78.348
tors. eta vs tors. theta energy: -192.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2350.830410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.830410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.830410 (E_RNA)
where:
Base-Base interactions energy: -1674.226
where: short stacking energy: -688.189
Base-Backbone interact. energy: -5.632
local terms energy: -670.972220
where:
bonds (distance) C4'-P energy: -124.537
bonds (distance) P-C4' energy: -124.680
flat angles C4'-P-C4' energy: -148.079
flat angles P-C4'-P energy: -85.444
tors. eta vs tors. theta energy: -188.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2187.174166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.174166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.174166 (E_RNA)
where:
Base-Base interactions energy: -1540.704
where: short stacking energy: -653.842
Base-Backbone interact. energy: -5.799
local terms energy: -640.671390
where:
bonds (distance) C4'-P energy: -119.101
bonds (distance) P-C4' energy: -127.474
flat angles C4'-P-C4' energy: -135.605
flat angles P-C4'-P energy: -75.637
tors. eta vs tors. theta energy: -182.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2112.626971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.626971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.626971 (E_RNA)
where:
Base-Base interactions energy: -1468.979
where: short stacking energy: -624.778
Base-Backbone interact. energy: -2.074
local terms energy: -641.574198
where:
bonds (distance) C4'-P energy: -114.140
bonds (distance) P-C4' energy: -122.738
flat angles C4'-P-C4' energy: -147.111
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -170.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1933.350725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.350725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.350725 (E_RNA)
where:
Base-Base interactions energy: -1374.800
where: short stacking energy: -548.976
Base-Backbone interact. energy: -3.728
local terms energy: -554.823548
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -116.445
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -130.436
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: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1403.045287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.045287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.045287 (E_RNA)
where:
Base-Base interactions energy: -944.450
where: short stacking energy: -389.988
Base-Backbone interact. energy: 2.079
local terms energy: -460.673867
where:
bonds (distance) C4'-P energy: -112.188
bonds (distance) P-C4' energy: -108.785
flat angles C4'-P-C4' energy: -108.513
flat angles P-C4'-P energy: -65.030
tors. eta vs tors. theta energy: -66.158
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: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1282.842224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.842224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.842224 (E_RNA)
where:
Base-Base interactions energy: -820.516
where: short stacking energy: -373.415
Base-Backbone interact. energy: 1.433
local terms energy: -463.758611
where:
bonds (distance) C4'-P energy: -97.298
bonds (distance) P-C4' energy: -107.656
flat angles C4'-P-C4' energy: -104.716
flat angles P-C4'-P energy: -84.506
tors. eta vs tors. theta energy: -69.583
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: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -950.981727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.981727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.981727 (E_RNA)
where:
Base-Base interactions energy: -560.398
where: short stacking energy: -263.173
Base-Backbone interact. energy: 1.598
local terms energy: -392.181616
where:
bonds (distance) C4'-P energy: -98.653
bonds (distance) P-C4' energy: -125.639
flat angles C4'-P-C4' energy: -85.881
flat angles P-C4'-P energy: -61.935
tors. eta vs tors. theta energy: -20.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2580.967296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.967296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.967296 (E_RNA)
where:
Base-Base interactions energy: -1815.589
where: short stacking energy: -771.459
Base-Backbone interact. energy: -3.312
local terms energy: -762.065825
where:
bonds (distance) C4'-P energy: -142.681
bonds (distance) P-C4' energy: -138.364
flat angles C4'-P-C4' energy: -160.160
flat angles P-C4'-P energy: -107.889
tors. eta vs tors. theta energy: -212.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2546.795963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.795963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.795963 (E_RNA)
where:
Base-Base interactions energy: -1799.045
where: short stacking energy: -729.339
Base-Backbone interact. energy: -0.361
local terms energy: -747.389927
where:
bonds (distance) C4'-P energy: -136.055
bonds (distance) P-C4' energy: -144.881
flat angles C4'-P-C4' energy: -155.605
flat angles P-C4'-P energy: -107.786
tors. eta vs tors. theta energy: -203.062
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: 343
Temperature: 1.000000
Total energy: -2426.221592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.221592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.221592 (E_RNA)
where:
Base-Base interactions energy: -1714.500
where: short stacking energy: -689.165
Base-Backbone interact. energy: -0.978
local terms energy: -710.743545
where:
bonds (distance) C4'-P energy: -142.889
bonds (distance) P-C4' energy: -137.325
flat angles C4'-P-C4' energy: -154.798
flat angles P-C4'-P energy: -88.092
tors. eta vs tors. theta energy: -187.641
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: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2330.448048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.448048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.448048 (E_RNA)
where:
Base-Base interactions energy: -1628.846
where: short stacking energy: -704.816
Base-Backbone interact. energy: -4.266
local terms energy: -697.335876
where:
bonds (distance) C4'-P energy: -137.877
bonds (distance) P-C4' energy: -115.158
flat angles C4'-P-C4' energy: -144.211
flat angles P-C4'-P energy: -102.894
tors. eta vs tors. theta energy: -197.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2190.983533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.983533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.983533 (E_RNA)
where:
Base-Base interactions energy: -1561.345
where: short stacking energy: -669.615
Base-Backbone interact. energy: -4.009
local terms energy: -625.629945
where:
bonds (distance) C4'-P energy: -108.750
bonds (distance) P-C4' energy: -103.473
flat angles C4'-P-C4' energy: -147.034
flat angles P-C4'-P energy: -86.170
tors. eta vs tors. theta energy: -180.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -2146.890556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.890556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.890556 (E_RNA)
where:
Base-Base interactions energy: -1490.363
where: short stacking energy: -647.896
Base-Backbone interact. energy: -1.858
local terms energy: -654.669879
where:
bonds (distance) C4'-P energy: -115.883
bonds (distance) P-C4' energy: -120.835
flat angles C4'-P-C4' energy: -148.906
flat angles P-C4'-P energy: -93.763
tors. eta vs tors. theta energy: -175.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1845.327620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.327620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.327620 (E_RNA)
where:
Base-Base interactions energy: -1259.120
where: short stacking energy: -549.270
Base-Backbone interact. energy: -4.702
local terms energy: -581.504831
where:
bonds (distance) C4'-P energy: -120.499
bonds (distance) P-C4' energy: -125.410
flat angles C4'-P-C4' energy: -137.943
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -125.057
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: 1
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1445.228077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.228077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.228077 (E_RNA)
where:
Base-Base interactions energy: -935.042
where: short stacking energy: -417.510
Base-Backbone interact. energy: 1.561
local terms energy: -511.747198
where:
bonds (distance) C4'-P energy: -130.169
bonds (distance) P-C4' energy: -119.050
flat angles C4'-P-C4' energy: -110.316
flat angles P-C4'-P energy: -79.581
tors. eta vs tors. theta energy: -72.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1305.211384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.211384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.211384 (E_RNA)
where:
Base-Base interactions energy: -821.074
where: short stacking energy: -423.689
Base-Backbone interact. energy: -0.702
local terms energy: -483.434724
where:
bonds (distance) C4'-P energy: -116.122
bonds (distance) P-C4' energy: -111.976
flat angles C4'-P-C4' energy: -112.378
flat angles P-C4'-P energy: -73.631
tors. eta vs tors. theta energy: -69.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -1002.590286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.590286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.590286 (E_RNA)
where:
Base-Base interactions energy: -595.173
where: short stacking energy: -291.166
Base-Backbone interact. energy: -1.732
local terms energy: -405.685371
where:
bonds (distance) C4'-P energy: -119.363
bonds (distance) P-C4' energy: -97.676
flat angles C4'-P-C4' energy: -107.146
flat angles P-C4'-P energy: -45.657
tors. eta vs tors. theta energy: -35.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -2562.535109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.535109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.535109 (E_RNA)
where:
Base-Base interactions energy: -1823.483
where: short stacking energy: -783.559
Base-Backbone interact. energy: -3.870
local terms energy: -735.182245
where:
bonds (distance) C4'-P energy: -129.177
bonds (distance) P-C4' energy: -142.714
flat angles C4'-P-C4' energy: -149.270
flat angles P-C4'-P energy: -100.629
tors. eta vs tors. theta energy: -213.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2542.739680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.739680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.739680 (E_RNA)
where:
Base-Base interactions energy: -1803.515
where: short stacking energy: -762.292
Base-Backbone interact. energy: -3.151
local terms energy: -736.073448
where:
bonds (distance) C4'-P energy: -148.081
bonds (distance) P-C4' energy: -123.252
flat angles C4'-P-C4' energy: -155.783
flat angles P-C4'-P energy: -99.733
tors. eta vs tors. theta energy: -209.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -2431.013937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.013937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.013937 (E_RNA)
where:
Base-Base interactions energy: -1731.760
where: short stacking energy: -700.795
Base-Backbone interact. energy: 0.287
local terms energy: -699.540758
where:
bonds (distance) C4'-P energy: -135.962
bonds (distance) P-C4' energy: -135.537
flat angles C4'-P-C4' energy: -147.069
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -189.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2349.754025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.754025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.754025 (E_RNA)
where:
Base-Base interactions energy: -1650.731
where: short stacking energy: -696.663
Base-Backbone interact. energy: -4.667
local terms energy: -694.356581
where:
bonds (distance) C4'-P energy: -120.236
bonds (distance) P-C4' energy: -142.494
flat angles C4'-P-C4' energy: -151.018
flat angles P-C4'-P energy: -89.058
tors. eta vs tors. theta energy: -191.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2168.651220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.651220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.651220 (E_RNA)
where:
Base-Base interactions energy: -1490.236
where: short stacking energy: -634.839
Base-Backbone interact. energy: 3.393
local terms energy: -681.808129
where:
bonds (distance) C4'-P energy: -130.308
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -153.558
flat angles P-C4'-P energy: -100.076
tors. eta vs tors. theta energy: -183.461
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: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2138.575491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.575491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.575491 (E_RNA)
where:
Base-Base interactions energy: -1504.535
where: short stacking energy: -638.244
Base-Backbone interact. energy: 0.364
local terms energy: -634.404805
where:
bonds (distance) C4'-P energy: -118.972
bonds (distance) P-C4' energy: -133.316
flat angles C4'-P-C4' energy: -121.274
flat angles P-C4'-P energy: -79.360
tors. eta vs tors. theta energy: -181.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1823.186964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.186964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.186964 (E_RNA)
where:
Base-Base interactions energy: -1251.277
where: short stacking energy: -539.090
Base-Backbone interact. energy: -1.014
local terms energy: -570.896164
where:
bonds (distance) C4'-P energy: -117.107
bonds (distance) P-C4' energy: -111.392
flat angles C4'-P-C4' energy: -128.186
flat angles P-C4'-P energy: -83.612
tors. eta vs tors. theta energy: -130.599
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: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1501.774702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.774702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.774702 (E_RNA)
where:
Base-Base interactions energy: -999.842
where: short stacking energy: -444.080
Base-Backbone interact. energy: 1.267
local terms energy: -503.199952
where:
bonds (distance) C4'-P energy: -109.967
bonds (distance) P-C4' energy: -124.076
flat angles C4'-P-C4' energy: -109.596
flat angles P-C4'-P energy: -76.553
tors. eta vs tors. theta energy: -83.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1277.101833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.101833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.101833 (E_RNA)
where:
Base-Base interactions energy: -823.600
where: short stacking energy: -345.998
Base-Backbone interact. energy: 0.806
local terms energy: -454.307696
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -125.931
flat angles C4'-P-C4' energy: -100.847
flat angles P-C4'-P energy: -62.056
tors. eta vs tors. theta energy: -43.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -969.277346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.277346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.277346 (E_RNA)
where:
Base-Base interactions energy: -567.964
where: short stacking energy: -261.275
Base-Backbone interact. energy: -0.328
local terms energy: -400.985441
where:
bonds (distance) C4'-P energy: -110.876
bonds (distance) P-C4' energy: -113.639
flat angles C4'-P-C4' energy: -103.934
flat angles P-C4'-P energy: -69.713
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2564.722501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.722501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.722501 (E_RNA)
where:
Base-Base interactions energy: -1794.239
where: short stacking energy: -759.374
Base-Backbone interact. energy: -6.954
local terms energy: -763.529787
where:
bonds (distance) C4'-P energy: -142.098
bonds (distance) P-C4' energy: -134.605
flat angles C4'-P-C4' energy: -167.437
flat angles P-C4'-P energy: -109.017
tors. eta vs tors. theta energy: -210.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2536.217618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.217618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.217618 (E_RNA)
where:
Base-Base interactions energy: -1815.466
where: short stacking energy: -746.595
Base-Backbone interact. energy: -3.325
local terms energy: -717.426840
where:
bonds (distance) C4'-P energy: -124.219
bonds (distance) P-C4' energy: -139.758
flat angles C4'-P-C4' energy: -160.201
flat angles P-C4'-P energy: -95.188
tors. eta vs tors. theta energy: -198.061
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: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2447.764495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.764495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.764495 (E_RNA)
where:
Base-Base interactions energy: -1779.433
where: short stacking energy: -722.067
Base-Backbone interact. energy: -1.559
local terms energy: -666.773093
where:
bonds (distance) C4'-P energy: -130.696
bonds (distance) P-C4' energy: -118.593
flat angles C4'-P-C4' energy: -138.770
flat angles P-C4'-P energy: -86.044
tors. eta vs tors. theta energy: -192.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2338.584987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.584987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.584987 (E_RNA)
where:
Base-Base interactions energy: -1668.526
where: short stacking energy: -704.139
Base-Backbone interact. energy: -5.134
local terms energy: -664.924736
where:
bonds (distance) C4'-P energy: -117.569
bonds (distance) P-C4' energy: -117.457
flat angles C4'-P-C4' energy: -144.205
flat angles P-C4'-P energy: -87.133
tors. eta vs tors. theta energy: -198.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2207.781889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.781889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.781889 (E_RNA)
where:
Base-Base interactions energy: -1542.445
where: short stacking energy: -672.980
Base-Backbone interact. energy: -1.311
local terms energy: -664.026398
where:
bonds (distance) C4'-P energy: -114.721
bonds (distance) P-C4' energy: -116.497
flat angles C4'-P-C4' energy: -143.162
flat angles P-C4'-P energy: -97.363
tors. eta vs tors. theta energy: -192.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -2154.607589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.607589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.607589 (E_RNA)
where:
Base-Base interactions energy: -1511.792
where: short stacking energy: -632.615
Base-Backbone interact. energy: -0.829
local terms energy: -641.986239
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -134.895
flat angles C4'-P-C4' energy: -128.121
flat angles P-C4'-P energy: -86.505
tors. eta vs tors. theta energy: -171.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1832.500331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.500331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.500331 (E_RNA)
where:
Base-Base interactions energy: -1275.368
where: short stacking energy: -537.552
Base-Backbone interact. energy: -1.408
local terms energy: -555.724258
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -103.838
flat angles C4'-P-C4' energy: -129.318
flat angles P-C4'-P energy: -75.806
tors. eta vs tors. theta energy: -135.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1501.299483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.299483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.299483 (E_RNA)
where:
Base-Base interactions energy: -1004.641
where: short stacking energy: -432.873
Base-Backbone interact. energy: 1.064
local terms energy: -497.722051
where:
bonds (distance) C4'-P energy: -104.136
bonds (distance) P-C4' energy: -122.579
flat angles C4'-P-C4' energy: -115.515
flat angles P-C4'-P energy: -76.443
tors. eta vs tors. theta energy: -79.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1254.904030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.904030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.904030 (E_RNA)
where:
Base-Base interactions energy: -807.726
where: short stacking energy: -335.892
Base-Backbone interact. energy: 1.957
local terms energy: -449.135321
where:
bonds (distance) C4'-P energy: -105.102
bonds (distance) P-C4' energy: -111.956
flat angles C4'-P-C4' energy: -105.092
flat angles P-C4'-P energy: -53.162
tors. eta vs tors. theta energy: -73.824
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: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -946.233393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.233393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.233393 (E_RNA)
where:
Base-Base interactions energy: -543.430
where: short stacking energy: -295.182
Base-Backbone interact. energy: -1.788
local terms energy: -401.015445
where:
bonds (distance) C4'-P energy: -116.015
bonds (distance) P-C4' energy: -97.434
flat angles C4'-P-C4' energy: -100.941
flat angles P-C4'-P energy: -43.779
tors. eta vs tors. theta energy: -42.846
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: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2567.014135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.014135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.014135 (E_RNA)
where:
Base-Base interactions energy: -1815.794
where: short stacking energy: -783.192
Base-Backbone interact. energy: -5.105
local terms energy: -746.115969
where:
bonds (distance) C4'-P energy: -127.474
bonds (distance) P-C4' energy: -134.796
flat angles C4'-P-C4' energy: -163.436
flat angles P-C4'-P energy: -104.491
tors. eta vs tors. theta energy: -215.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2549.093932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.093932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.093932 (E_RNA)
where:
Base-Base interactions energy: -1828.358
where: short stacking energy: -751.829
Base-Backbone interact. energy: -2.793
local terms energy: -717.943370
where:
bonds (distance) C4'-P energy: -134.893
bonds (distance) P-C4' energy: -122.638
flat angles C4'-P-C4' energy: -158.069
flat angles P-C4'-P energy: -106.791
tors. eta vs tors. theta energy: -195.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2494.056595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.056595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.056595 (E_RNA)
where:
Base-Base interactions energy: -1802.827
where: short stacking energy: -721.538
Base-Backbone interact. energy: -3.967
local terms energy: -687.261982
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -125.254
flat angles C4'-P-C4' energy: -148.088
flat angles P-C4'-P energy: -94.313
tors. eta vs tors. theta energy: -198.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2340.174949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.174949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.174949 (E_RNA)
where:
Base-Base interactions energy: -1661.048
where: short stacking energy: -698.640
Base-Backbone interact. energy: 1.452
local terms energy: -680.578630
where:
bonds (distance) C4'-P energy: -122.154
bonds (distance) P-C4' energy: -118.018
flat angles C4'-P-C4' energy: -144.979
flat angles P-C4'-P energy: -97.985
tors. eta vs tors. theta energy: -197.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2197.922323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.922323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.922323 (E_RNA)
where:
Base-Base interactions energy: -1527.149
where: short stacking energy: -645.995
Base-Backbone interact. energy: -1.819
local terms energy: -668.954712
where:
bonds (distance) C4'-P energy: -123.566
bonds (distance) P-C4' energy: -123.212
flat angles C4'-P-C4' energy: -144.919
flat angles P-C4'-P energy: -87.999
tors. eta vs tors. theta energy: -189.259
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: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -2108.680399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.680399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.680399 (E_RNA)
where:
Base-Base interactions energy: -1471.976
where: short stacking energy: -605.863
Base-Backbone interact. energy: 4.748
local terms energy: -641.452817
where:
bonds (distance) C4'-P energy: -116.638
bonds (distance) P-C4' energy: -139.598
flat angles C4'-P-C4' energy: -124.046
flat angles P-C4'-P energy: -92.429
tors. eta vs tors. theta energy: -168.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1783.432323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.432323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.432323 (E_RNA)
where:
Base-Base interactions energy: -1214.982
where: short stacking energy: -527.742
Base-Backbone interact. energy: -1.090
local terms energy: -567.360667
where:
bonds (distance) C4'-P energy: -111.709
bonds (distance) P-C4' energy: -124.764
flat angles C4'-P-C4' energy: -136.084
flat angles P-C4'-P energy: -68.825
tors. eta vs tors. theta energy: -125.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1488.324566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.324566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.324566 (E_RNA)
where:
Base-Base interactions energy: -1020.790
where: short stacking energy: -432.086
Base-Backbone interact. energy: -0.409
local terms energy: -467.125886
where:
bonds (distance) C4'-P energy: -114.054
bonds (distance) P-C4' energy: -103.682
flat angles C4'-P-C4' energy: -114.292
flat angles P-C4'-P energy: -72.076
tors. eta vs tors. theta energy: -63.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1333.985239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.985239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.985239 (E_RNA)
where:
Base-Base interactions energy: -901.410
where: short stacking energy: -397.572
Base-Backbone interact. energy: -2.669
local terms energy: -429.906124
where:
bonds (distance) C4'-P energy: -87.562
bonds (distance) P-C4' energy: -101.416
flat angles C4'-P-C4' energy: -120.308
flat angles P-C4'-P energy: -62.608
tors. eta vs tors. theta energy: -58.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -892.456966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.456966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.456966 (E_RNA)
where:
Base-Base interactions energy: -525.968
where: short stacking energy: -274.226
Base-Backbone interact. energy: -1.737
local terms energy: -364.751886
where:
bonds (distance) C4'-P energy: -99.419
bonds (distance) P-C4' energy: -109.146
flat angles C4'-P-C4' energy: -73.184
flat angles P-C4'-P energy: -56.875
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: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2574.866830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.866830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.866830 (E_RNA)
where:
Base-Base interactions energy: -1813.010
where: short stacking energy: -793.218
Base-Backbone interact. energy: -2.928
local terms energy: -758.928501
where:
bonds (distance) C4'-P energy: -145.260
bonds (distance) P-C4' energy: -134.981
flat angles C4'-P-C4' energy: -159.116
flat angles P-C4'-P energy: -102.862
tors. eta vs tors. theta energy: -216.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2533.677943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.677943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.677943 (E_RNA)
where:
Base-Base interactions energy: -1792.065
where: short stacking energy: -754.444
Base-Backbone interact. energy: -1.614
local terms energy: -739.998482
where:
bonds (distance) C4'-P energy: -134.701
bonds (distance) P-C4' energy: -141.799
flat angles C4'-P-C4' energy: -160.496
flat angles P-C4'-P energy: -101.516
tors. eta vs tors. theta energy: -201.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2444.844304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.844304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.844304 (E_RNA)
where:
Base-Base interactions energy: -1778.787
where: short stacking energy: -705.559
Base-Backbone interact. energy: -3.358
local terms energy: -662.699648
where:
bonds (distance) C4'-P energy: -129.464
bonds (distance) P-C4' energy: -121.132
flat angles C4'-P-C4' energy: -136.347
flat angles P-C4'-P energy: -90.538
tors. eta vs tors. theta energy: -185.219
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: 2
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2359.192417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.192417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.192417 (E_RNA)
where:
Base-Base interactions energy: -1663.134
where: short stacking energy: -695.850
Base-Backbone interact. energy: -1.999
local terms energy: -694.058638
where:
bonds (distance) C4'-P energy: -127.389
bonds (distance) P-C4' energy: -131.746
flat angles C4'-P-C4' energy: -143.260
flat angles P-C4'-P energy: -89.295
tors. eta vs tors. theta energy: -202.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2201.227197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.227197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.227197 (E_RNA)
where:
Base-Base interactions energy: -1548.266
where: short stacking energy: -691.957
Base-Backbone interact. energy: -0.119
local terms energy: -652.842424
where:
bonds (distance) C4'-P energy: -98.595
bonds (distance) P-C4' energy: -130.941
flat angles C4'-P-C4' energy: -142.002
flat angles P-C4'-P energy: -87.823
tors. eta vs tors. theta energy: -193.481
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -2164.248575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.248575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.248575 (E_RNA)
where:
Base-Base interactions energy: -1491.495
where: short stacking energy: -617.869
Base-Backbone interact. energy: 0.156
local terms energy: -672.909504
where:
bonds (distance) C4'-P energy: -124.694
bonds (distance) P-C4' energy: -132.572
flat angles C4'-P-C4' energy: -149.853
flat angles P-C4'-P energy: -93.718
tors. eta vs tors. theta energy: -172.072
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: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1848.358619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.358619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.358619 (E_RNA)
where:
Base-Base interactions energy: -1281.174
where: short stacking energy: -555.975
Base-Backbone interact. energy: 0.340
local terms energy: -567.524156
where:
bonds (distance) C4'-P energy: -102.171
bonds (distance) P-C4' energy: -127.080
flat angles C4'-P-C4' energy: -120.171
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -143.486
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1517.089750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.089750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.089750 (E_RNA)
where:
Base-Base interactions energy: -1033.273
where: short stacking energy: -468.035
Base-Backbone interact. energy: -2.439
local terms energy: -481.377647
where:
bonds (distance) C4'-P energy: -108.940
bonds (distance) P-C4' energy: -109.274
flat angles C4'-P-C4' energy: -109.503
flat angles P-C4'-P energy: -69.805
tors. eta vs tors. theta energy: -83.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1281.746499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.746499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.746499 (E_RNA)
where:
Base-Base interactions energy: -807.620
where: short stacking energy: -342.401
Base-Backbone interact. energy: -2.719
local terms energy: -471.408050
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -122.524
flat angles C4'-P-C4' energy: -118.755
flat angles P-C4'-P energy: -64.429
tors. eta vs tors. theta energy: -63.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -898.509600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.509600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.509600 (E_RNA)
where:
Base-Base interactions energy: -517.058
where: short stacking energy: -272.622
Base-Backbone interact. energy: -1.852
local terms energy: -379.599933
where:
bonds (distance) C4'-P energy: -91.512
bonds (distance) P-C4' energy: -113.289
flat angles C4'-P-C4' energy: -98.877
flat angles P-C4'-P energy: -59.314
tors. eta vs tors. theta energy: -16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2577.436327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.436327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.436327 (E_RNA)
where:
Base-Base interactions energy: -1832.668
where: short stacking energy: -768.043
Base-Backbone interact. energy: -5.801
local terms energy: -738.968066
where:
bonds (distance) C4'-P energy: -133.697
bonds (distance) P-C4' energy: -147.328
flat angles C4'-P-C4' energy: -155.444
flat angles P-C4'-P energy: -101.622
tors. eta vs tors. theta energy: -200.876
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2543.179668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.179668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.179668 (E_RNA)
where:
Base-Base interactions energy: -1820.615
where: short stacking energy: -770.634
Base-Backbone interact. energy: -2.346
local terms energy: -720.218339
where:
bonds (distance) C4'-P energy: -120.117
bonds (distance) P-C4' energy: -130.669
flat angles C4'-P-C4' energy: -161.521
flat angles P-C4'-P energy: -97.367
tors. eta vs tors. theta energy: -210.543
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: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2453.661471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.661471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.661471 (E_RNA)
where:
Base-Base interactions energy: -1757.297
where: short stacking energy: -715.892
Base-Backbone interact. energy: -1.878
local terms energy: -694.487094
where:
bonds (distance) C4'-P energy: -134.150
bonds (distance) P-C4' energy: -129.572
flat angles C4'-P-C4' energy: -142.338
flat angles P-C4'-P energy: -99.811
tors. eta vs tors. theta energy: -188.615
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: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2370.470640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.470640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.470640 (E_RNA)
where:
Base-Base interactions energy: -1676.563
where: short stacking energy: -700.910
Base-Backbone interact. energy: 0.212
local terms energy: -694.119191
where:
bonds (distance) C4'-P energy: -119.011
bonds (distance) P-C4' energy: -123.203
flat angles C4'-P-C4' energy: -158.974
flat angles P-C4'-P energy: -95.747
tors. eta vs tors. theta energy: -197.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2212.380547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.380547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.380547 (E_RNA)
where:
Base-Base interactions energy: -1521.979
where: short stacking energy: -671.095
Base-Backbone interact. energy: 1.467
local terms energy: -691.868464
where:
bonds (distance) C4'-P energy: -126.151
bonds (distance) P-C4' energy: -128.840
flat angles C4'-P-C4' energy: -142.215
flat angles P-C4'-P energy: -98.914
tors. eta vs tors. theta energy: -195.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -2156.076744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.076744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.076744 (E_RNA)
where:
Base-Base interactions energy: -1514.253
where: short stacking energy: -638.372
Base-Backbone interact. energy: -2.286
local terms energy: -639.537694
where:
bonds (distance) C4'-P energy: -125.268
bonds (distance) P-C4' energy: -122.718
flat angles C4'-P-C4' energy: -137.963
flat angles P-C4'-P energy: -82.739
tors. eta vs tors. theta energy: -170.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1870.460595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.460595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.460595 (E_RNA)
where:
Base-Base interactions energy: -1318.557
where: short stacking energy: -539.321
Base-Backbone interact. energy: -4.764
local terms energy: -547.140061
where:
bonds (distance) C4'-P energy: -99.681
bonds (distance) P-C4' energy: -104.763
flat angles C4'-P-C4' energy: -127.909
flat angles P-C4'-P energy: -89.112
tors. eta vs tors. theta energy: -125.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1537.994565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.994565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.994565 (E_RNA)
where:
Base-Base interactions energy: -1028.356
where: short stacking energy: -453.134
Base-Backbone interact. energy: 1.094
local terms energy: -510.732402
where:
bonds (distance) C4'-P energy: -113.389
bonds (distance) P-C4' energy: -108.667
flat angles C4'-P-C4' energy: -105.714
flat angles P-C4'-P energy: -86.812
tors. eta vs tors. theta energy: -96.150
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: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1308.718063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.718063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.718063 (E_RNA)
where:
Base-Base interactions energy: -811.371
where: short stacking energy: -358.016
Base-Backbone interact. energy: -5.430
local terms energy: -491.916103
where:
bonds (distance) C4'-P energy: -109.834
bonds (distance) P-C4' energy: -126.599
flat angles C4'-P-C4' energy: -120.747
flat angles P-C4'-P energy: -67.613
tors. eta vs tors. theta energy: -67.122
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: 8
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -945.335861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.335861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.335861 (E_RNA)
where:
Base-Base interactions energy: -555.890
where: short stacking energy: -284.043
Base-Backbone interact. energy: 0.245
local terms energy: -389.690878
where:
bonds (distance) C4'-P energy: -106.399
bonds (distance) P-C4' energy: -112.306
flat angles C4'-P-C4' energy: -96.239
flat angles P-C4'-P energy: -54.590
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2575.608156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.608156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.608156 (E_RNA)
where:
Base-Base interactions energy: -1806.460
where: short stacking energy: -767.079
Base-Backbone interact. energy: -0.461
local terms energy: -768.687543
where:
bonds (distance) C4'-P energy: -140.100
bonds (distance) P-C4' energy: -139.349
flat angles C4'-P-C4' energy: -162.232
flat angles P-C4'-P energy: -116.253
tors. eta vs tors. theta energy: -210.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2546.372374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.372374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.372374 (E_RNA)
where:
Base-Base interactions energy: -1799.895
where: short stacking energy: -762.362
Base-Backbone interact. energy: -3.316
local terms energy: -743.161309
where:
bonds (distance) C4'-P energy: -119.826
bonds (distance) P-C4' energy: -138.171
flat angles C4'-P-C4' energy: -160.641
flat angles P-C4'-P energy: -105.529
tors. eta vs tors. theta energy: -218.995
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: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2431.612833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.612833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.612833 (E_RNA)
where:
Base-Base interactions energy: -1743.904
where: short stacking energy: -712.079
Base-Backbone interact. energy: -3.067
local terms energy: -684.641864
where:
bonds (distance) C4'-P energy: -121.166
bonds (distance) P-C4' energy: -128.211
flat angles C4'-P-C4' energy: -158.539
flat angles P-C4'-P energy: -87.173
tors. eta vs tors. theta energy: -189.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2319.004465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.004465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.004465 (E_RNA)
where:
Base-Base interactions energy: -1629.102
where: short stacking energy: -680.406
Base-Backbone interact. energy: -4.149
local terms energy: -685.753642
where:
bonds (distance) C4'-P energy: -92.684
bonds (distance) P-C4' energy: -140.351
flat angles C4'-P-C4' energy: -162.530
flat angles P-C4'-P energy: -103.252
tors. eta vs tors. theta energy: -186.937
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: 349
Temperature: 1.100000
Total energy: -2193.948172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.948172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.948172 (E_RNA)
where:
Base-Base interactions energy: -1533.071
where: short stacking energy: -670.086
Base-Backbone interact. energy: -1.921
local terms energy: -658.956154
where:
bonds (distance) C4'-P energy: -107.326
bonds (distance) P-C4' energy: -125.019
flat angles C4'-P-C4' energy: -152.572
flat angles P-C4'-P energy: -82.780
tors. eta vs tors. theta energy: -191.259
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: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -2209.818265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.818265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.818265 (E_RNA)
where:
Base-Base interactions energy: -1588.085
where: short stacking energy: -651.627
Base-Backbone interact. energy: -2.667
local terms energy: -619.066405
where:
bonds (distance) C4'-P energy: -111.454
bonds (distance) P-C4' energy: -107.829
flat angles C4'-P-C4' energy: -132.231
flat angles P-C4'-P energy: -97.666
tors. eta vs tors. theta energy: -169.885
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: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1832.764514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.764514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.764514 (E_RNA)
where:
Base-Base interactions energy: -1284.894
where: short stacking energy: -557.377
Base-Backbone interact. energy: -0.169
local terms energy: -547.700803
where:
bonds (distance) C4'-P energy: -104.776
bonds (distance) P-C4' energy: -121.754
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -74.964
tors. eta vs tors. theta energy: -125.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1500.392401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.392401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.392401 (E_RNA)
where:
Base-Base interactions energy: -986.534
where: short stacking energy: -399.387
Base-Backbone interact. energy: -1.644
local terms energy: -512.214427
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -128.016
flat angles C4'-P-C4' energy: -120.506
flat angles P-C4'-P energy: -84.616
tors. eta vs tors. theta energy: -72.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1281.550497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.550497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.550497 (E_RNA)
where:
Base-Base interactions energy: -832.241
where: short stacking energy: -373.297
Base-Backbone interact. energy: -0.206
local terms energy: -449.103480
where:
bonds (distance) C4'-P energy: -93.833
bonds (distance) P-C4' energy: -118.715
flat angles C4'-P-C4' energy: -116.301
flat angles P-C4'-P energy: -74.192
tors. eta vs tors. theta energy: -46.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -942.395461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.395461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.395461 (E_RNA)
where:
Base-Base interactions energy: -531.718
where: short stacking energy: -254.087
Base-Backbone interact. energy: -3.318
local terms energy: -407.358637
where:
bonds (distance) C4'-P energy: -89.658
bonds (distance) P-C4' energy: -136.563
flat angles C4'-P-C4' energy: -103.573
flat angles P-C4'-P energy: -58.866
tors. eta vs tors. theta energy: -18.697
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: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2612.409904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.409904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.409904 (E_RNA)
where:
Base-Base interactions energy: -1856.455
where: short stacking energy: -768.334
Base-Backbone interact. energy: -1.928
local terms energy: -754.026642
where:
bonds (distance) C4'-P energy: -138.964
bonds (distance) P-C4' energy: -130.336
flat angles C4'-P-C4' energy: -170.240
flat angles P-C4'-P energy: -102.927
tors. eta vs tors. theta energy: -211.561
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: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2534.068447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.068447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.068447 (E_RNA)
where:
Base-Base interactions energy: -1771.399
where: short stacking energy: -749.209
Base-Backbone interact. energy: -1.700
local terms energy: -760.969886
where:
bonds (distance) C4'-P energy: -134.648
bonds (distance) P-C4' energy: -141.561
flat angles C4'-P-C4' energy: -160.358
flat angles P-C4'-P energy: -107.043
tors. eta vs tors. theta energy: -217.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2430.912584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.912584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.912584 (E_RNA)
where:
Base-Base interactions energy: -1751.376
where: short stacking energy: -717.227
Base-Backbone interact. energy: 0.834
local terms energy: -680.370594
where:
bonds (distance) C4'-P energy: -116.621
bonds (distance) P-C4' energy: -136.486
flat angles C4'-P-C4' energy: -150.792
flat angles P-C4'-P energy: -91.172
tors. eta vs tors. theta energy: -185.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2384.039875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.039875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.039875 (E_RNA)
where:
Base-Base interactions energy: -1700.313
where: short stacking energy: -723.965
Base-Backbone interact. energy: 0.885
local terms energy: -684.611289
where:
bonds (distance) C4'-P energy: -113.793
bonds (distance) P-C4' energy: -124.096
flat angles C4'-P-C4' energy: -149.509
flat angles P-C4'-P energy: -88.612
tors. eta vs tors. theta energy: -208.601
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: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2259.262091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.262091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.262091 (E_RNA)
where:
Base-Base interactions energy: -1562.869
where: short stacking energy: -690.212
Base-Backbone interact. energy: -0.759
local terms energy: -695.634001
where:
bonds (distance) C4'-P energy: -123.283
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -140.887
flat angles P-C4'-P energy: -97.986
tors. eta vs tors. theta energy: -200.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -2133.559688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.559688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.559688 (E_RNA)
where:
Base-Base interactions energy: -1509.191
where: short stacking energy: -624.629
Base-Backbone interact. energy: -2.898
local terms energy: -621.470391
where:
bonds (distance) C4'-P energy: -96.374
bonds (distance) P-C4' energy: -103.052
flat angles C4'-P-C4' energy: -143.092
flat angles P-C4'-P energy: -102.185
tors. eta vs tors. theta energy: -176.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1804.576967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.576967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.576967 (E_RNA)
where:
Base-Base interactions energy: -1244.779
where: short stacking energy: -509.201
Base-Backbone interact. energy: -3.798
local terms energy: -555.999750
where:
bonds (distance) C4'-P energy: -115.961
bonds (distance) P-C4' energy: -118.825
flat angles C4'-P-C4' energy: -113.787
flat angles P-C4'-P energy: -81.270
tors. eta vs tors. theta energy: -126.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1400.623821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.623821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.623821 (E_RNA)
where:
Base-Base interactions energy: -952.216
where: short stacking energy: -405.049
Base-Backbone interact. energy: -0.745
local terms energy: -447.662320
where:
bonds (distance) C4'-P energy: -87.342
bonds (distance) P-C4' energy: -98.324
flat angles C4'-P-C4' energy: -122.873
flat angles P-C4'-P energy: -85.831
tors. eta vs tors. theta energy: -53.294
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: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1293.715618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.715618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.715618 (E_RNA)
where:
Base-Base interactions energy: -792.778
where: short stacking energy: -394.398
Base-Backbone interact. energy: -2.775
local terms energy: -498.162452
where:
bonds (distance) C4'-P energy: -122.506
bonds (distance) P-C4' energy: -112.242
flat angles C4'-P-C4' energy: -134.758
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: -77.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -898.636534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.636534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.636534 (E_RNA)
where:
Base-Base interactions energy: -510.940
where: short stacking energy: -266.434
Base-Backbone interact. energy: 0.883
local terms energy: -388.579674
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -111.952
flat angles C4'-P-C4' energy: -100.948
flat angles P-C4'-P energy: -53.426
tors. eta vs tors. theta energy: -19.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2617.826688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.826688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.826688 (E_RNA)
where:
Base-Base interactions energy: -1852.135
where: short stacking energy: -776.143
Base-Backbone interact. energy: -2.917
local terms energy: -762.775000
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -144.943
flat angles C4'-P-C4' energy: -173.584
flat angles P-C4'-P energy: -97.719
tors. eta vs tors. theta energy: -211.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2547.702682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.702682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.702682 (E_RNA)
where:
Base-Base interactions energy: -1787.057
where: short stacking energy: -782.229
Base-Backbone interact. energy: -0.937
local terms energy: -759.708952
where:
bonds (distance) C4'-P energy: -130.770
bonds (distance) P-C4' energy: -133.666
flat angles C4'-P-C4' energy: -170.552
flat angles P-C4'-P energy: -105.984
tors. eta vs tors. theta energy: -218.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2469.701981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.701981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.701981 (E_RNA)
where:
Base-Base interactions energy: -1754.298
where: short stacking energy: -732.933
Base-Backbone interact. energy: -1.061
local terms energy: -714.343564
where:
bonds (distance) C4'-P energy: -128.442
bonds (distance) P-C4' energy: -138.424
flat angles C4'-P-C4' energy: -147.939
flat angles P-C4'-P energy: -98.624
tors. eta vs tors. theta energy: -200.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2401.661697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.661697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.661697 (E_RNA)
where:
Base-Base interactions energy: -1718.739
where: short stacking energy: -709.675
Base-Backbone interact. energy: -3.260
local terms energy: -679.663073
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -118.440
flat angles C4'-P-C4' energy: -150.106
flat angles P-C4'-P energy: -95.471
tors. eta vs tors. theta energy: -200.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2276.065677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.065677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.065677 (E_RNA)
where:
Base-Base interactions energy: -1581.163
where: short stacking energy: -670.435
Base-Backbone interact. energy: -2.570
local terms energy: -692.332841
where:
bonds (distance) C4'-P energy: -137.226
bonds (distance) P-C4' energy: -128.004
flat angles C4'-P-C4' energy: -147.766
flat angles P-C4'-P energy: -92.131
tors. eta vs tors. theta energy: -187.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2142.092421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.092421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.092421 (E_RNA)
where:
Base-Base interactions energy: -1484.761
where: short stacking energy: -634.536
Base-Backbone interact. energy: 2.658
local terms energy: -659.989444
where:
bonds (distance) C4'-P energy: -122.125
bonds (distance) P-C4' energy: -123.587
flat angles C4'-P-C4' energy: -142.682
flat angles P-C4'-P energy: -100.759
tors. eta vs tors. theta energy: -170.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1801.910119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.910119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.910119 (E_RNA)
where:
Base-Base interactions energy: -1219.416
where: short stacking energy: -532.949
Base-Backbone interact. energy: 0.480
local terms energy: -582.974053
where:
bonds (distance) C4'-P energy: -121.965
bonds (distance) P-C4' energy: -113.687
flat angles C4'-P-C4' energy: -135.718
flat angles P-C4'-P energy: -79.812
tors. eta vs tors. theta energy: -131.792
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: 1
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1431.535962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.535962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.535962 (E_RNA)
where:
Base-Base interactions energy: -941.291
where: short stacking energy: -447.811
Base-Backbone interact. energy: -3.371
local terms energy: -486.873996
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -124.047
flat angles C4'-P-C4' energy: -97.851
flat angles P-C4'-P energy: -80.600
tors. eta vs tors. theta energy: -90.300
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: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1264.870385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.870385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.870385 (E_RNA)
where:
Base-Base interactions energy: -831.070
where: short stacking energy: -372.007
Base-Backbone interact. energy: -1.801
local terms energy: -431.999102
where:
bonds (distance) C4'-P energy: -84.965
bonds (distance) P-C4' energy: -110.777
flat angles C4'-P-C4' energy: -117.218
flat angles P-C4'-P energy: -63.980
tors. eta vs tors. theta energy: -55.059
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: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -933.218664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.218664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.218664 (E_RNA)
where:
Base-Base interactions energy: -533.676
where: short stacking energy: -274.671
Base-Backbone interact. energy: -3.654
local terms energy: -395.888979
where:
bonds (distance) C4'-P energy: -111.452
bonds (distance) P-C4' energy: -112.450
flat angles C4'-P-C4' energy: -83.216
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: -34.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2593.241451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.241451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.241451 (E_RNA)
where:
Base-Base interactions energy: -1841.074
where: short stacking energy: -769.182
Base-Backbone interact. energy: -0.130
local terms energy: -752.037487
where:
bonds (distance) C4'-P energy: -151.150
bonds (distance) P-C4' energy: -134.884
flat angles C4'-P-C4' energy: -160.588
flat angles P-C4'-P energy: -99.112
tors. eta vs tors. theta energy: -206.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2533.903843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.903843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.903843 (E_RNA)
where:
Base-Base interactions energy: -1784.295
where: short stacking energy: -778.802
Base-Backbone interact. energy: -2.302
local terms energy: -747.306090
where:
bonds (distance) C4'-P energy: -134.987
bonds (distance) P-C4' energy: -144.631
flat angles C4'-P-C4' energy: -162.686
flat angles P-C4'-P energy: -99.623
tors. eta vs tors. theta energy: -205.380
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: 352
Temperature: 1.000000
Total energy: -2461.475658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.475658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.475658 (E_RNA)
where:
Base-Base interactions energy: -1766.060
where: short stacking energy: -719.062
Base-Backbone interact. energy: -1.878
local terms energy: -693.537513
where:
bonds (distance) C4'-P energy: -121.933
bonds (distance) P-C4' energy: -128.199
flat angles C4'-P-C4' energy: -149.916
flat angles P-C4'-P energy: -94.209
tors. eta vs tors. theta energy: -199.280
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: 2
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2378.432413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.432413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.432413 (E_RNA)
where:
Base-Base interactions energy: -1679.934
where: short stacking energy: -675.497
Base-Backbone interact. energy: -2.377
local terms energy: -696.121781
where:
bonds (distance) C4'-P energy: -118.191
bonds (distance) P-C4' energy: -125.819
flat angles C4'-P-C4' energy: -150.438
flat angles P-C4'-P energy: -110.239
tors. eta vs tors. theta energy: -191.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2262.740851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.740851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.740851 (E_RNA)
where:
Base-Base interactions energy: -1581.174
where: short stacking energy: -694.756
Base-Backbone interact. energy: -1.836
local terms energy: -679.730930
where:
bonds (distance) C4'-P energy: -127.899
bonds (distance) P-C4' energy: -122.936
flat angles C4'-P-C4' energy: -141.101
flat angles P-C4'-P energy: -100.125
tors. eta vs tors. theta energy: -187.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2135.931353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.931353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.931353 (E_RNA)
where:
Base-Base interactions energy: -1488.502
where: short stacking energy: -645.103
Base-Backbone interact. energy: -3.166
local terms energy: -644.262971
where:
bonds (distance) C4'-P energy: -135.188
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -135.191
flat angles P-C4'-P energy: -73.579
tors. eta vs tors. theta energy: -173.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1782.578478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.578478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.578478 (E_RNA)
where:
Base-Base interactions energy: -1204.175
where: short stacking energy: -522.640
Base-Backbone interact. energy: -2.745
local terms energy: -575.658228
where:
bonds (distance) C4'-P energy: -131.572
bonds (distance) P-C4' energy: -119.353
flat angles C4'-P-C4' energy: -123.112
flat angles P-C4'-P energy: -78.461
tors. eta vs tors. theta energy: -123.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1456.993478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.993478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.993478 (E_RNA)
where:
Base-Base interactions energy: -975.543
where: short stacking energy: -431.694
Base-Backbone interact. energy: -0.973
local terms energy: -480.477129
where:
bonds (distance) C4'-P energy: -102.925
bonds (distance) P-C4' energy: -109.883
flat angles C4'-P-C4' energy: -121.702
flat angles P-C4'-P energy: -73.008
tors. eta vs tors. theta energy: -72.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1303.313318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.313318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.313318 (E_RNA)
where:
Base-Base interactions energy: -827.255
where: short stacking energy: -388.128
Base-Backbone interact. energy: 1.919
local terms energy: -477.976544
where:
bonds (distance) C4'-P energy: -112.566
bonds (distance) P-C4' energy: -116.912
flat angles C4'-P-C4' energy: -102.957
flat angles P-C4'-P energy: -77.854
tors. eta vs tors. theta energy: -67.688
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: 8
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -932.039459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.039459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.039459 (E_RNA)
where:
Base-Base interactions energy: -524.889
where: short stacking energy: -286.174
Base-Backbone interact. energy: 0.190
local terms energy: -407.341179
where:
bonds (distance) C4'-P energy: -119.639
bonds (distance) P-C4' energy: -103.289
flat angles C4'-P-C4' energy: -94.177
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: -25.706
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: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2601.708485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.708485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.708485 (E_RNA)
where:
Base-Base interactions energy: -1835.502
where: short stacking energy: -744.699
Base-Backbone interact. energy: -3.696
local terms energy: -762.511130
where:
bonds (distance) C4'-P energy: -141.582
bonds (distance) P-C4' energy: -133.960
flat angles C4'-P-C4' energy: -171.565
flat angles P-C4'-P energy: -110.770
tors. eta vs tors. theta energy: -204.635
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: 353
Temperature: 0.950000
Total energy: -2528.296106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.296106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.296106 (E_RNA)
where:
Base-Base interactions energy: -1779.057
where: short stacking energy: -764.612
Base-Backbone interact. energy: 2.410
local terms energy: -751.649574
where:
bonds (distance) C4'-P energy: -134.113
bonds (distance) P-C4' energy: -128.030
flat angles C4'-P-C4' energy: -161.812
flat angles P-C4'-P energy: -107.063
tors. eta vs tors. theta energy: -220.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2462.534083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.534083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.534083 (E_RNA)
where:
Base-Base interactions energy: -1780.355
where: short stacking energy: -740.068
Base-Backbone interact. energy: -2.466
local terms energy: -679.713529
where:
bonds (distance) C4'-P energy: -124.217
bonds (distance) P-C4' energy: -130.042
flat angles C4'-P-C4' energy: -137.126
flat angles P-C4'-P energy: -85.337
tors. eta vs tors. theta energy: -202.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2318.662776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.662776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.662776 (E_RNA)
where:
Base-Base interactions energy: -1649.979
where: short stacking energy: -701.347
Base-Backbone interact. energy: -4.558
local terms energy: -664.125375
where:
bonds (distance) C4'-P energy: -121.605
bonds (distance) P-C4' energy: -122.793
flat angles C4'-P-C4' energy: -147.106
flat angles P-C4'-P energy: -81.619
tors. eta vs tors. theta energy: -191.002
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: 353
Temperature: 1.100000
Total energy: -2308.659965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.659965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.659965 (E_RNA)
where:
Base-Base interactions energy: -1639.082
where: short stacking energy: -682.373
Base-Backbone interact. energy: -2.460
local terms energy: -667.118229
where:
bonds (distance) C4'-P energy: -122.401
bonds (distance) P-C4' energy: -136.900
flat angles C4'-P-C4' energy: -133.158
flat angles P-C4'-P energy: -79.203
tors. eta vs tors. theta energy: -195.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2084.274378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.274378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.274378 (E_RNA)
where:
Base-Base interactions energy: -1455.580
where: short stacking energy: -621.722
Base-Backbone interact. energy: -0.523
local terms energy: -628.171301
where:
bonds (distance) C4'-P energy: -85.345
bonds (distance) P-C4' energy: -127.428
flat angles C4'-P-C4' energy: -148.166
flat angles P-C4'-P energy: -96.249
tors. eta vs tors. theta energy: -170.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1787.886816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.886816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.886816 (E_RNA)
where:
Base-Base interactions energy: -1242.594
where: short stacking energy: -521.461
Base-Backbone interact. energy: -3.036
local terms energy: -542.256963
where:
bonds (distance) C4'-P energy: -115.569
bonds (distance) P-C4' energy: -98.277
flat angles C4'-P-C4' energy: -125.863
flat angles P-C4'-P energy: -91.009
tors. eta vs tors. theta energy: -111.539
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1634.916829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.916829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.916829 (E_RNA)
where:
Base-Base interactions energy: -1147.702
where: short stacking energy: -521.268
Base-Backbone interact. energy: 3.931
local terms energy: -491.145525
where:
bonds (distance) C4'-P energy: -102.657
bonds (distance) P-C4' energy: -97.713
flat angles C4'-P-C4' energy: -131.728
flat angles P-C4'-P energy: -65.442
tors. eta vs tors. theta energy: -93.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1306.278541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.278541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.278541 (E_RNA)
where:
Base-Base interactions energy: -855.173
where: short stacking energy: -374.484
Base-Backbone interact. energy: -2.161
local terms energy: -448.943988
where:
bonds (distance) C4'-P energy: -109.557
bonds (distance) P-C4' energy: -96.410
flat angles C4'-P-C4' energy: -111.840
flat angles P-C4'-P energy: -64.893
tors. eta vs tors. theta energy: -66.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -971.539402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.539402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.539402 (E_RNA)
where:
Base-Base interactions energy: -548.585
where: short stacking energy: -296.963
Base-Backbone interact. energy: -5.664
local terms energy: -417.290506
where:
bonds (distance) C4'-P energy: -94.492
bonds (distance) P-C4' energy: -117.462
flat angles C4'-P-C4' energy: -108.816
flat angles P-C4'-P energy: -59.550
tors. eta vs tors. theta energy: -36.971
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2603.536568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.536568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.536568 (E_RNA)
where:
Base-Base interactions energy: -1838.921
where: short stacking energy: -756.391
Base-Backbone interact. energy: -0.685
local terms energy: -763.930438
where:
bonds (distance) C4'-P energy: -147.455
bonds (distance) P-C4' energy: -133.393
flat angles C4'-P-C4' energy: -161.052
flat angles P-C4'-P energy: -106.101
tors. eta vs tors. theta energy: -215.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2534.597303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.597303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.597303 (E_RNA)
where:
Base-Base interactions energy: -1781.164
where: short stacking energy: -754.877
Base-Backbone interact. energy: -3.937
local terms energy: -749.496931
where:
bonds (distance) C4'-P energy: -127.105
bonds (distance) P-C4' energy: -132.133
flat angles C4'-P-C4' energy: -162.815
flat angles P-C4'-P energy: -113.932
tors. eta vs tors. theta energy: -213.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2471.650245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.650245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.650245 (E_RNA)
where:
Base-Base interactions energy: -1774.706
where: short stacking energy: -724.067
Base-Backbone interact. energy: -2.086
local terms energy: -694.857649
where:
bonds (distance) C4'-P energy: -138.349
bonds (distance) P-C4' energy: -124.471
flat angles C4'-P-C4' energy: -143.411
flat angles P-C4'-P energy: -90.405
tors. eta vs tors. theta energy: -198.223
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: 4, replica: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2319.347243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.347243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.347243 (E_RNA)
where:
Base-Base interactions energy: -1649.183
where: short stacking energy: -672.791
Base-Backbone interact. energy: -2.969
local terms energy: -667.194967
where:
bonds (distance) C4'-P energy: -115.410
bonds (distance) P-C4' energy: -123.018
flat angles C4'-P-C4' energy: -146.774
flat angles P-C4'-P energy: -84.381
tors. eta vs tors. theta energy: -197.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2336.966093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.966093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.966093 (E_RNA)
where:
Base-Base interactions energy: -1653.772
where: short stacking energy: -716.013
Base-Backbone interact. energy: 2.750
local terms energy: -685.944067
where:
bonds (distance) C4'-P energy: -123.400
bonds (distance) P-C4' energy: -129.424
flat angles C4'-P-C4' energy: -148.640
flat angles P-C4'-P energy: -95.592
tors. eta vs tors. theta energy: -188.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2098.957446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.957446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.957446 (E_RNA)
where:
Base-Base interactions energy: -1461.491
where: short stacking energy: -635.350
Base-Backbone interact. energy: -1.012
local terms energy: -636.455046
where:
bonds (distance) C4'-P energy: -126.008
bonds (distance) P-C4' energy: -101.559
flat angles C4'-P-C4' energy: -140.340
flat angles P-C4'-P energy: -103.320
tors. eta vs tors. theta energy: -165.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1836.513512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.513512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.513512 (E_RNA)
where:
Base-Base interactions energy: -1280.500
where: short stacking energy: -528.242
Base-Backbone interact. energy: 0.821
local terms energy: -556.835174
where:
bonds (distance) C4'-P energy: -113.460
bonds (distance) P-C4' energy: -102.517
flat angles C4'-P-C4' energy: -146.657
flat angles P-C4'-P energy: -70.605
tors. eta vs tors. theta energy: -123.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1616.192627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.192627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.192627 (E_RNA)
where:
Base-Base interactions energy: -1114.878
where: short stacking energy: -479.923
Base-Backbone interact. energy: 3.430
local terms energy: -504.744504
where:
bonds (distance) C4'-P energy: -93.557
bonds (distance) P-C4' energy: -112.713
flat angles C4'-P-C4' energy: -119.438
flat angles P-C4'-P energy: -81.990
tors. eta vs tors. theta energy: -97.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1314.744142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.744142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.744142 (E_RNA)
where:
Base-Base interactions energy: -863.786
where: short stacking energy: -393.701
Base-Backbone interact. energy: -0.413
local terms energy: -450.544379
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -116.902
flat angles C4'-P-C4' energy: -95.180
flat angles P-C4'-P energy: -72.106
tors. eta vs tors. theta energy: -76.575
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: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -929.365355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.365355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.365355 (E_RNA)
where:
Base-Base interactions energy: -495.775
where: short stacking energy: -260.985
Base-Backbone interact. energy: 0.454
local terms energy: -434.044511
where:
bonds (distance) C4'-P energy: -114.907
bonds (distance) P-C4' energy: -124.634
flat angles C4'-P-C4' energy: -124.061
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -16.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2588.569771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.569771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.569771 (E_RNA)
where:
Base-Base interactions energy: -1826.158
where: short stacking energy: -765.291
Base-Backbone interact. energy: 1.340
local terms energy: -763.751756
where:
bonds (distance) C4'-P energy: -146.875
bonds (distance) P-C4' energy: -133.949
flat angles C4'-P-C4' energy: -163.650
flat angles P-C4'-P energy: -108.476
tors. eta vs tors. theta energy: -210.802
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: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2569.779710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.779710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.779710 (E_RNA)
where:
Base-Base interactions energy: -1815.929
where: short stacking energy: -765.801
Base-Backbone interact. energy: -0.137
local terms energy: -753.713632
where:
bonds (distance) C4'-P energy: -136.370
bonds (distance) P-C4' energy: -138.253
flat angles C4'-P-C4' energy: -160.054
flat angles P-C4'-P energy: -107.772
tors. eta vs tors. theta energy: -211.264
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: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2424.015688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.015688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.015688 (E_RNA)
where:
Base-Base interactions energy: -1759.895
where: short stacking energy: -729.421
Base-Backbone interact. energy: -6.551
local terms energy: -657.569630
where:
bonds (distance) C4'-P energy: -127.155
bonds (distance) P-C4' energy: -120.756
flat angles C4'-P-C4' energy: -145.647
flat angles P-C4'-P energy: -80.452
tors. eta vs tors. theta energy: -183.560
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: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2359.285750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.285750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.285750 (E_RNA)
where:
Base-Base interactions energy: -1662.106
where: short stacking energy: -691.083
Base-Backbone interact. energy: -6.880
local terms energy: -690.299640
where:
bonds (distance) C4'-P energy: -136.868
bonds (distance) P-C4' energy: -118.950
flat angles C4'-P-C4' energy: -145.055
flat angles P-C4'-P energy: -96.213
tors. eta vs tors. theta energy: -193.213
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: 6
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2287.736506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.736506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.736506 (E_RNA)
where:
Base-Base interactions energy: -1593.383
where: short stacking energy: -685.896
Base-Backbone interact. energy: 2.737
local terms energy: -697.090307
where:
bonds (distance) C4'-P energy: -124.514
bonds (distance) P-C4' energy: -137.679
flat angles C4'-P-C4' energy: -145.216
flat angles P-C4'-P energy: -90.136
tors. eta vs tors. theta energy: -199.546
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: 355
Temperature: 1.150000
Total energy: -2104.681300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.681300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.681300 (E_RNA)
where:
Base-Base interactions energy: -1435.096
where: short stacking energy: -636.341
Base-Backbone interact. energy: -0.654
local terms energy: -668.930805
where:
bonds (distance) C4'-P energy: -117.862
bonds (distance) P-C4' energy: -128.578
flat angles C4'-P-C4' energy: -150.896
flat angles P-C4'-P energy: -102.377
tors. eta vs tors. theta energy: -169.218
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: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1787.870811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.870811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.870811 (E_RNA)
where:
Base-Base interactions energy: -1213.429
where: short stacking energy: -549.453
Base-Backbone interact. energy: -2.681
local terms energy: -571.761161
where:
bonds (distance) C4'-P energy: -101.604
bonds (distance) P-C4' energy: -123.755
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -75.564
tors. eta vs tors. theta energy: -133.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1571.497663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.497663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.497663 (E_RNA)
where:
Base-Base interactions energy: -1049.036
where: short stacking energy: -468.267
Base-Backbone interact. energy: 0.873
local terms energy: -523.335090
where:
bonds (distance) C4'-P energy: -110.635
bonds (distance) P-C4' energy: -119.842
flat angles C4'-P-C4' energy: -124.958
flat angles P-C4'-P energy: -66.909
tors. eta vs tors. theta energy: -100.991
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: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1326.247175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.247175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.247175 (E_RNA)
where:
Base-Base interactions energy: -847.541
where: short stacking energy: -365.979
Base-Backbone interact. energy: 4.527
local terms energy: -483.233821
where:
bonds (distance) C4'-P energy: -113.666
bonds (distance) P-C4' energy: -112.468
flat angles C4'-P-C4' energy: -118.929
flat angles P-C4'-P energy: -67.164
tors. eta vs tors. theta energy: -71.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -951.841376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.841376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.841376 (E_RNA)
where:
Base-Base interactions energy: -560.607
where: short stacking energy: -262.683
Base-Backbone interact. energy: -2.795
local terms energy: -388.439842
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -99.221
flat angles C4'-P-C4' energy: -104.634
flat angles P-C4'-P energy: -58.713
tors. eta vs tors. theta energy: -17.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2579.128772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.128772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.128772 (E_RNA)
where:
Base-Base interactions energy: -1793.817
where: short stacking energy: -746.849
Base-Backbone interact. energy: -2.567
local terms energy: -782.744132
where:
bonds (distance) C4'-P energy: -143.253
bonds (distance) P-C4' energy: -142.346
flat angles C4'-P-C4' energy: -171.783
flat angles P-C4'-P energy: -108.482
tors. eta vs tors. theta energy: -216.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2535.910799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.910799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.910799 (E_RNA)
where:
Base-Base interactions energy: -1795.796
where: short stacking energy: -736.280
Base-Backbone interact. energy: -1.557
local terms energy: -738.557583
where:
bonds (distance) C4'-P energy: -130.598
bonds (distance) P-C4' energy: -139.381
flat angles C4'-P-C4' energy: -171.279
flat angles P-C4'-P energy: -98.194
tors. eta vs tors. theta energy: -199.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2444.792945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.792945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.792945 (E_RNA)
where:
Base-Base interactions energy: -1754.138
where: short stacking energy: -717.120
Base-Backbone interact. energy: -3.477
local terms energy: -687.177498
where:
bonds (distance) C4'-P energy: -118.757
bonds (distance) P-C4' energy: -117.241
flat angles C4'-P-C4' energy: -156.699
flat angles P-C4'-P energy: -107.069
tors. eta vs tors. theta energy: -187.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2347.604584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.604584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.604584 (E_RNA)
where:
Base-Base interactions energy: -1675.598
where: short stacking energy: -694.636
Base-Backbone interact. energy: -5.194
local terms energy: -666.812366
where:
bonds (distance) C4'-P energy: -109.388
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -142.655
flat angles P-C4'-P energy: -86.322
tors. eta vs tors. theta energy: -197.435
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: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2223.972314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.972314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.972314 (E_RNA)
where:
Base-Base interactions energy: -1552.886
where: short stacking energy: -631.443
Base-Backbone interact. energy: 2.291
local terms energy: -673.376802
where:
bonds (distance) C4'-P energy: -130.026
bonds (distance) P-C4' energy: -121.695
flat angles C4'-P-C4' energy: -152.665
flat angles P-C4'-P energy: -90.696
tors. eta vs tors. theta energy: -178.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -2089.027102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.027102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.027102 (E_RNA)
where:
Base-Base interactions energy: -1466.021
where: short stacking energy: -650.915
Base-Backbone interact. energy: 2.755
local terms energy: -625.761443
where:
bonds (distance) C4'-P energy: -108.437
bonds (distance) P-C4' energy: -115.965
flat angles C4'-P-C4' energy: -141.373
flat angles P-C4'-P energy: -91.016
tors. eta vs tors. theta energy: -168.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1789.575294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.575294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.575294 (E_RNA)
where:
Base-Base interactions energy: -1243.498
where: short stacking energy: -550.470
Base-Backbone interact. energy: -1.689
local terms energy: -544.388439
where:
bonds (distance) C4'-P energy: -117.155
bonds (distance) P-C4' energy: -109.789
flat angles C4'-P-C4' energy: -98.041
flat angles P-C4'-P energy: -93.664
tors. eta vs tors. theta energy: -125.739
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: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1561.854875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.854875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.854875 (E_RNA)
where:
Base-Base interactions energy: -1047.750
where: short stacking energy: -434.985
Base-Backbone interact. energy: 0.290
local terms energy: -514.394630
where:
bonds (distance) C4'-P energy: -92.868
bonds (distance) P-C4' energy: -133.892
flat angles C4'-P-C4' energy: -117.773
flat angles P-C4'-P energy: -84.144
tors. eta vs tors. theta energy: -85.718
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: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1324.636328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.636328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.636328 (E_RNA)
where:
Base-Base interactions energy: -855.782
where: short stacking energy: -384.184
Base-Backbone interact. energy: -1.033
local terms energy: -467.821825
where:
bonds (distance) C4'-P energy: -116.277
bonds (distance) P-C4' energy: -108.738
flat angles C4'-P-C4' energy: -115.973
flat angles P-C4'-P energy: -71.154
tors. eta vs tors. theta energy: -55.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -993.263834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.263834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.263834 (E_RNA)
where:
Base-Base interactions energy: -615.443
where: short stacking energy: -298.347
Base-Backbone interact. energy: 5.218
local terms energy: -383.039549
where:
bonds (distance) C4'-P energy: -110.576
bonds (distance) P-C4' energy: -104.339
flat angles C4'-P-C4' energy: -100.356
flat angles P-C4'-P energy: -47.674
tors. eta vs tors. theta energy: -20.095
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: 5
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2597.441877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.441877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.441877 (E_RNA)
where:
Base-Base interactions energy: -1837.121
where: short stacking energy: -786.020
Base-Backbone interact. energy: -4.363
local terms energy: -755.958458
where:
bonds (distance) C4'-P energy: -130.777
bonds (distance) P-C4' energy: -150.873
flat angles C4'-P-C4' energy: -156.586
flat angles P-C4'-P energy: -107.374
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: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2542.742135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.742135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.742135 (E_RNA)
where:
Base-Base interactions energy: -1777.775
where: short stacking energy: -730.370
Base-Backbone interact. energy: -1.257
local terms energy: -763.710288
where:
bonds (distance) C4'-P energy: -134.468
bonds (distance) P-C4' energy: -143.178
flat angles C4'-P-C4' energy: -163.094
flat angles P-C4'-P energy: -113.488
tors. eta vs tors. theta energy: -209.482
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: 357
Temperature: 1.000000
Total energy: -2421.180422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.180422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.180422 (E_RNA)
where:
Base-Base interactions energy: -1749.653
where: short stacking energy: -719.652
Base-Backbone interact. energy: -1.580
local terms energy: -669.947536
where:
bonds (distance) C4'-P energy: -108.661
bonds (distance) P-C4' energy: -143.402
flat angles C4'-P-C4' energy: -135.143
flat angles P-C4'-P energy: -88.779
tors. eta vs tors. theta energy: -193.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2337.569641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.569641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.569641 (E_RNA)
where:
Base-Base interactions energy: -1663.163
where: short stacking energy: -670.139
Base-Backbone interact. energy: -2.888
local terms energy: -671.519074
where:
bonds (distance) C4'-P energy: -115.420
bonds (distance) P-C4' energy: -126.830
flat angles C4'-P-C4' energy: -146.938
flat angles P-C4'-P energy: -95.706
tors. eta vs tors. theta energy: -186.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2282.274286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.274286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.274286 (E_RNA)
where:
Base-Base interactions energy: -1631.012
where: short stacking energy: -684.322
Base-Backbone interact. energy: 0.927
local terms energy: -652.189362
where:
bonds (distance) C4'-P energy: -122.486
bonds (distance) P-C4' energy: -114.760
flat angles C4'-P-C4' energy: -145.133
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -195.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2092.704676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.704676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.704676 (E_RNA)
where:
Base-Base interactions energy: -1473.462
where: short stacking energy: -625.002
Base-Backbone interact. energy: 0.143
local terms energy: -619.385785
where:
bonds (distance) C4'-P energy: -101.757
bonds (distance) P-C4' energy: -127.955
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -86.126
tors. eta vs tors. theta energy: -170.006
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: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1869.709704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.709704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.709704 (E_RNA)
where:
Base-Base interactions energy: -1319.569
where: short stacking energy: -548.040
Base-Backbone interact. energy: -3.277
local terms energy: -546.864098
where:
bonds (distance) C4'-P energy: -96.387
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -136.286
flat angles P-C4'-P energy: -77.883
tors. eta vs tors. theta energy: -132.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1489.182800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.182800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.182800 (E_RNA)
where:
Base-Base interactions energy: -962.140
where: short stacking energy: -412.066
Base-Backbone interact. energy: -0.905
local terms energy: -526.137882
where:
bonds (distance) C4'-P energy: -121.592
bonds (distance) P-C4' energy: -116.635
flat angles C4'-P-C4' energy: -133.983
flat angles P-C4'-P energy: -80.971
tors. eta vs tors. theta energy: -72.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1356.784825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.784825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.784825 (E_RNA)
where:
Base-Base interactions energy: -889.998
where: short stacking energy: -390.809
Base-Backbone interact. energy: 8.262
local terms energy: -475.049442
where:
bonds (distance) C4'-P energy: -102.294
bonds (distance) P-C4' energy: -110.360
flat angles C4'-P-C4' energy: -114.988
flat angles P-C4'-P energy: -77.023
tors. eta vs tors. theta energy: -70.385
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: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -940.766548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.766548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.766548 (E_RNA)
where:
Base-Base interactions energy: -537.794
where: short stacking energy: -301.294
Base-Backbone interact. energy: -2.752
local terms energy: -400.221000
where:
bonds (distance) C4'-P energy: -97.445
bonds (distance) P-C4' energy: -117.144
flat angles C4'-P-C4' energy: -115.718
flat angles P-C4'-P energy: -48.654
tors. eta vs tors. theta energy: -21.259
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: 358
Temperature: 0.900000
Total energy: -2590.332247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.332247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.332247 (E_RNA)
where:
Base-Base interactions energy: -1830.092
where: short stacking energy: -787.264
Base-Backbone interact. energy: -4.270
local terms energy: -755.970188
where:
bonds (distance) C4'-P energy: -126.443
bonds (distance) P-C4' energy: -145.933
flat angles C4'-P-C4' energy: -156.485
flat angles P-C4'-P energy: -110.974
tors. eta vs tors. theta energy: -216.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2546.757168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.757168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.757168 (E_RNA)
where:
Base-Base interactions energy: -1810.293
where: short stacking energy: -742.037
Base-Backbone interact. energy: -2.276
local terms energy: -734.187555
where:
bonds (distance) C4'-P energy: -135.566
bonds (distance) P-C4' energy: -128.699
flat angles C4'-P-C4' energy: -155.911
flat angles P-C4'-P energy: -103.528
tors. eta vs tors. theta energy: -210.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2441.564231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.564231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.564231 (E_RNA)
where:
Base-Base interactions energy: -1765.546
where: short stacking energy: -710.286
Base-Backbone interact. energy: -1.817
local terms energy: -674.200975
where:
bonds (distance) C4'-P energy: -120.516
bonds (distance) P-C4' energy: -137.538
flat angles C4'-P-C4' energy: -138.507
flat angles P-C4'-P energy: -89.368
tors. eta vs tors. theta energy: -188.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2366.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.464579 (E_RNA)
where:
Base-Base interactions energy: -1664.478
where: short stacking energy: -710.488
Base-Backbone interact. energy: -4.083
local terms energy: -697.903324
where:
bonds (distance) C4'-P energy: -124.412
bonds (distance) P-C4' energy: -130.139
flat angles C4'-P-C4' energy: -137.863
flat angles P-C4'-P energy: -108.889
tors. eta vs tors. theta energy: -196.600
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: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -2264.231556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.231556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.231556 (E_RNA)
where:
Base-Base interactions energy: -1583.974
where: short stacking energy: -672.112
Base-Backbone interact. energy: -2.008
local terms energy: -678.249731
where:
bonds (distance) C4'-P energy: -118.957
bonds (distance) P-C4' energy: -134.737
flat angles C4'-P-C4' energy: -145.878
flat angles P-C4'-P energy: -86.091
tors. eta vs tors. theta energy: -192.586
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: 358
Temperature: 1.150000
Total energy: -2081.341683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.341683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.341683 (E_RNA)
where:
Base-Base interactions energy: -1452.430
where: short stacking energy: -621.500
Base-Backbone interact. energy: -1.977
local terms energy: -626.934113
where:
bonds (distance) C4'-P energy: -120.592
bonds (distance) P-C4' energy: -120.395
flat angles C4'-P-C4' energy: -133.046
flat angles P-C4'-P energy: -86.390
tors. eta vs tors. theta energy: -166.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1889.182320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.182320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.182320 (E_RNA)
where:
Base-Base interactions energy: -1322.537
where: short stacking energy: -538.467
Base-Backbone interact. energy: 1.153
local terms energy: -567.798197
where:
bonds (distance) C4'-P energy: -109.062
bonds (distance) P-C4' energy: -130.031
flat angles C4'-P-C4' energy: -131.577
flat angles P-C4'-P energy: -68.274
tors. eta vs tors. theta energy: -128.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1577.236227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.236227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.236227 (E_RNA)
where:
Base-Base interactions energy: -1069.416
where: short stacking energy: -436.242
Base-Backbone interact. energy: 2.658
local terms energy: -510.478023
where:
bonds (distance) C4'-P energy: -106.547
bonds (distance) P-C4' energy: -117.837
flat angles C4'-P-C4' energy: -119.264
flat angles P-C4'-P energy: -88.675
tors. eta vs tors. theta energy: -78.154
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: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1318.851149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.851149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.851149 (E_RNA)
where:
Base-Base interactions energy: -842.843
where: short stacking energy: -359.019
Base-Backbone interact. energy: -0.105
local terms energy: -475.903095
where:
bonds (distance) C4'-P energy: -114.364
bonds (distance) P-C4' energy: -113.640
flat angles C4'-P-C4' energy: -108.126
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -74.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -925.776210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.776210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.776210 (E_RNA)
where:
Base-Base interactions energy: -486.741
where: short stacking energy: -257.099
Base-Backbone interact. energy: -5.420
local terms energy: -433.615047
where:
bonds (distance) C4'-P energy: -111.255
bonds (distance) P-C4' energy: -117.237
flat angles C4'-P-C4' energy: -104.137
flat angles P-C4'-P energy: -69.259
tors. eta vs tors. theta energy: -31.726
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: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2592.855722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.855722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.855722 (E_RNA)
where:
Base-Base interactions energy: -1822.545
where: short stacking energy: -773.236
Base-Backbone interact. energy: 0.404
local terms energy: -770.715530
where:
bonds (distance) C4'-P energy: -127.677
bonds (distance) P-C4' energy: -148.948
flat angles C4'-P-C4' energy: -167.403
flat angles P-C4'-P energy: -110.067
tors. eta vs tors. theta energy: -216.622
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2536.833032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.833032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.833032 (E_RNA)
where:
Base-Base interactions energy: -1808.214
where: short stacking energy: -753.460
Base-Backbone interact. energy: -2.890
local terms energy: -725.728433
where:
bonds (distance) C4'-P energy: -126.342
bonds (distance) P-C4' energy: -123.433
flat angles C4'-P-C4' energy: -156.640
flat angles P-C4'-P energy: -113.751
tors. eta vs tors. theta energy: -205.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2395.770767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.770767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.770767 (E_RNA)
where:
Base-Base interactions energy: -1704.587
where: short stacking energy: -709.807
Base-Backbone interact. energy: -2.867
local terms energy: -688.316057
where:
bonds (distance) C4'-P energy: -114.478
bonds (distance) P-C4' energy: -138.288
flat angles C4'-P-C4' energy: -152.243
flat angles P-C4'-P energy: -89.525
tors. eta vs tors. theta energy: -193.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2360.023924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.023924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.023924 (E_RNA)
where:
Base-Base interactions energy: -1672.208
where: short stacking energy: -692.865
Base-Backbone interact. energy: -2.261
local terms energy: -685.555268
where:
bonds (distance) C4'-P energy: -112.960
bonds (distance) P-C4' energy: -116.916
flat angles C4'-P-C4' energy: -161.181
flat angles P-C4'-P energy: -96.762
tors. eta vs tors. theta energy: -197.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2224.202654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.202654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.202654 (E_RNA)
where:
Base-Base interactions energy: -1571.048
where: short stacking energy: -661.319
Base-Backbone interact. energy: -2.441
local terms energy: -650.713927
where:
bonds (distance) C4'-P energy: -112.390
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -144.334
flat angles P-C4'-P energy: -87.806
tors. eta vs tors. theta energy: -183.672
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: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -2103.964321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.964321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.964321 (E_RNA)
where:
Base-Base interactions energy: -1442.615
where: short stacking energy: -613.589
Base-Backbone interact. energy: -0.117
local terms energy: -661.232908
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -143.942
flat angles C4'-P-C4' energy: -147.889
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -166.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1853.660212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.660212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.660212 (E_RNA)
where:
Base-Base interactions energy: -1286.880
where: short stacking energy: -562.913
Base-Backbone interact. energy: -1.807
local terms energy: -564.973684
where:
bonds (distance) C4'-P energy: -114.028
bonds (distance) P-C4' energy: -97.710
flat angles C4'-P-C4' energy: -137.919
flat angles P-C4'-P energy: -79.709
tors. eta vs tors. theta energy: -135.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1599.931346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.931346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.931346 (E_RNA)
where:
Base-Base interactions energy: -1075.331
where: short stacking energy: -447.665
Base-Backbone interact. energy: 5.536
local terms energy: -530.137169
where:
bonds (distance) C4'-P energy: -115.035
bonds (distance) P-C4' energy: -125.714
flat angles C4'-P-C4' energy: -127.919
flat angles P-C4'-P energy: -80.887
tors. eta vs tors. theta energy: -80.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1326.809044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.809044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.809044 (E_RNA)
where:
Base-Base interactions energy: -842.647
where: short stacking energy: -372.172
Base-Backbone interact. energy: 1.975
local terms energy: -486.137019
where:
bonds (distance) C4'-P energy: -108.791
bonds (distance) P-C4' energy: -100.262
flat angles C4'-P-C4' energy: -134.038
flat angles P-C4'-P energy: -66.985
tors. eta vs tors. theta energy: -76.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -949.849615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.849615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.849615 (E_RNA)
where:
Base-Base interactions energy: -546.934
where: short stacking energy: -296.610
Base-Backbone interact. energy: 2.640
local terms energy: -405.555466
where:
bonds (distance) C4'-P energy: -91.692
bonds (distance) P-C4' energy: -138.833
flat angles C4'-P-C4' energy: -95.580
flat angles P-C4'-P energy: -42.092
tors. eta vs tors. theta energy: -37.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2585.245858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.245858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.245858 (E_RNA)
where:
Base-Base interactions energy: -1839.771
where: short stacking energy: -767.633
Base-Backbone interact. energy: -3.885
local terms energy: -741.590671
where:
bonds (distance) C4'-P energy: -126.861
bonds (distance) P-C4' energy: -134.299
flat angles C4'-P-C4' energy: -163.033
flat angles P-C4'-P energy: -104.334
tors. eta vs tors. theta energy: -213.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2533.960012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.960012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.960012 (E_RNA)
where:
Base-Base interactions energy: -1770.872
where: short stacking energy: -734.277
Base-Backbone interact. energy: -5.801
local terms energy: -757.287448
where:
bonds (distance) C4'-P energy: -145.473
bonds (distance) P-C4' energy: -141.423
flat angles C4'-P-C4' energy: -154.434
flat angles P-C4'-P energy: -105.554
tors. eta vs tors. theta energy: -210.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2421.734452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.734452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.734452 (E_RNA)
where:
Base-Base interactions energy: -1712.983
where: short stacking energy: -707.409
Base-Backbone interact. energy: -4.704
local terms energy: -704.047262
where:
bonds (distance) C4'-P energy: -139.790
bonds (distance) P-C4' energy: -129.284
flat angles C4'-P-C4' energy: -146.836
flat angles P-C4'-P energy: -99.527
tors. eta vs tors. theta energy: -188.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2366.161166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.161166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.161166 (E_RNA)
where:
Base-Base interactions energy: -1672.238
where: short stacking energy: -690.243
Base-Backbone interact. energy: -3.752
local terms energy: -690.171111
where:
bonds (distance) C4'-P energy: -115.786
bonds (distance) P-C4' energy: -135.057
flat angles C4'-P-C4' energy: -147.622
flat angles P-C4'-P energy: -99.369
tors. eta vs tors. theta energy: -192.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2253.403163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.403163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.403163 (E_RNA)
where:
Base-Base interactions energy: -1561.583
where: short stacking energy: -672.748
Base-Backbone interact. energy: -4.598
local terms energy: -687.221866
where:
bonds (distance) C4'-P energy: -126.804
bonds (distance) P-C4' energy: -130.393
flat angles C4'-P-C4' energy: -142.417
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -197.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -2056.387678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.387678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.387678 (E_RNA)
where:
Base-Base interactions energy: -1445.284
where: short stacking energy: -612.152
Base-Backbone interact. energy: -3.807
local terms energy: -607.296306
where:
bonds (distance) C4'-P energy: -112.918
bonds (distance) P-C4' energy: -126.570
flat angles C4'-P-C4' energy: -132.761
flat angles P-C4'-P energy: -76.163
tors. eta vs tors. theta energy: -158.884
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: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1912.488226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.488226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.488226 (E_RNA)
where:
Base-Base interactions energy: -1305.238
where: short stacking energy: -554.518
Base-Backbone interact. energy: -0.824
local terms energy: -606.426205
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -123.615
flat angles C4'-P-C4' energy: -142.519
flat angles P-C4'-P energy: -94.018
tors. eta vs tors. theta energy: -132.898
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: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1483.491755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.491755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.491755 (E_RNA)
where:
Base-Base interactions energy: -1011.431
where: short stacking energy: -436.683
Base-Backbone interact. energy: 0.721
local terms energy: -472.781094
where:
bonds (distance) C4'-P energy: -117.150
bonds (distance) P-C4' energy: -105.875
flat angles C4'-P-C4' energy: -117.090
flat angles P-C4'-P energy: -62.819
tors. eta vs tors. theta energy: -69.847
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: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1261.102975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.102975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.102975 (E_RNA)
where:
Base-Base interactions energy: -807.852
where: short stacking energy: -376.040
Base-Backbone interact. energy: 1.646
local terms energy: -454.896530
where:
bonds (distance) C4'-P energy: -95.934
bonds (distance) P-C4' energy: -107.785
flat angles C4'-P-C4' energy: -100.867
flat angles P-C4'-P energy: -77.453
tors. eta vs tors. theta energy: -72.857
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: 8
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -976.687250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.687250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.687250 (E_RNA)
where:
Base-Base interactions energy: -560.124
where: short stacking energy: -275.222
Base-Backbone interact. energy: 2.878
local terms energy: -419.441240
where:
bonds (distance) C4'-P energy: -131.971
bonds (distance) P-C4' energy: -112.714
flat angles C4'-P-C4' energy: -98.401
flat angles P-C4'-P energy: -56.568
tors. eta vs tors. theta energy: -19.788
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: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2569.248194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.248194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.248194 (E_RNA)
where:
Base-Base interactions energy: -1824.962
where: short stacking energy: -765.017
Base-Backbone interact. energy: 0.488
local terms energy: -744.774784
where:
bonds (distance) C4'-P energy: -134.769
bonds (distance) P-C4' energy: -127.621
flat angles C4'-P-C4' energy: -167.336
flat angles P-C4'-P energy: -110.267
tors. eta vs tors. theta energy: -204.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2531.231733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.231733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.231733 (E_RNA)
where:
Base-Base interactions energy: -1765.502
where: short stacking energy: -769.259
Base-Backbone interact. energy: -1.635
local terms energy: -764.095029
where:
bonds (distance) C4'-P energy: -121.854
bonds (distance) P-C4' energy: -141.974
flat angles C4'-P-C4' energy: -165.125
flat angles P-C4'-P energy: -115.174
tors. eta vs tors. theta energy: -219.969
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: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2447.675955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.675955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.675955 (E_RNA)
where:
Base-Base interactions energy: -1722.499
where: short stacking energy: -712.560
Base-Backbone interact. energy: -2.824
local terms energy: -722.352967
where:
bonds (distance) C4'-P energy: -126.539
bonds (distance) P-C4' energy: -144.989
flat angles C4'-P-C4' energy: -159.475
flat angles P-C4'-P energy: -107.721
tors. eta vs tors. theta energy: -183.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2365.844118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.844118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.844118 (E_RNA)
where:
Base-Base interactions energy: -1688.041
where: short stacking energy: -707.602
Base-Backbone interact. energy: -3.313
local terms energy: -674.490059
where:
bonds (distance) C4'-P energy: -112.038
bonds (distance) P-C4' energy: -121.245
flat angles C4'-P-C4' energy: -147.434
flat angles P-C4'-P energy: -97.048
tors. eta vs tors. theta energy: -196.724
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: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2229.215434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.215434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.215434 (E_RNA)
where:
Base-Base interactions energy: -1558.479
where: short stacking energy: -673.405
Base-Backbone interact. energy: -0.161
local terms energy: -670.576180
where:
bonds (distance) C4'-P energy: -118.937
bonds (distance) P-C4' energy: -129.908
flat angles C4'-P-C4' energy: -137.346
flat angles P-C4'-P energy: -92.488
tors. eta vs tors. theta energy: -191.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -2084.911464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.911464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.911464 (E_RNA)
where:
Base-Base interactions energy: -1446.351
where: short stacking energy: -600.425
Base-Backbone interact. energy: -0.915
local terms energy: -637.645820
where:
bonds (distance) C4'-P energy: -119.624
bonds (distance) P-C4' energy: -121.219
flat angles C4'-P-C4' energy: -129.640
flat angles P-C4'-P energy: -89.507
tors. eta vs tors. theta energy: -177.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1896.044315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.044315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.044315 (E_RNA)
where:
Base-Base interactions energy: -1300.794
where: short stacking energy: -550.776
Base-Backbone interact. energy: -0.288
local terms energy: -594.961915
where:
bonds (distance) C4'-P energy: -110.186
bonds (distance) P-C4' energy: -137.113
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -89.756
tors. eta vs tors. theta energy: -139.248
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: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1459.214634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.214634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.214634 (E_RNA)
where:
Base-Base interactions energy: -980.317
where: short stacking energy: -425.166
Base-Backbone interact. energy: 5.048
local terms energy: -483.945561
where:
bonds (distance) C4'-P energy: -109.708
bonds (distance) P-C4' energy: -108.578
flat angles C4'-P-C4' energy: -120.102
flat angles P-C4'-P energy: -69.646
tors. eta vs tors. theta energy: -75.911
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: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1297.132113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.132113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.132113 (E_RNA)
where:
Base-Base interactions energy: -850.871
where: short stacking energy: -376.273
Base-Backbone interact. energy: -2.026
local terms energy: -444.234911
where:
bonds (distance) C4'-P energy: -117.746
bonds (distance) P-C4' energy: -118.785
flat angles C4'-P-C4' energy: -116.672
flat angles P-C4'-P energy: -45.680
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -931.184043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.184043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.184043 (E_RNA)
where:
Base-Base interactions energy: -545.826
where: short stacking energy: -294.263
Base-Backbone interact. energy: 2.395
local terms energy: -387.753175
where:
bonds (distance) C4'-P energy: -110.196
bonds (distance) P-C4' energy: -107.532
flat angles C4'-P-C4' energy: -100.453
flat angles P-C4'-P energy: -46.276
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: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2602.288111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.288111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.288111 (E_RNA)
where:
Base-Base interactions energy: -1835.034
where: short stacking energy: -757.962
Base-Backbone interact. energy: -4.575
local terms energy: -762.678735
where:
bonds (distance) C4'-P energy: -140.901
bonds (distance) P-C4' energy: -142.949
flat angles C4'-P-C4' energy: -162.950
flat angles P-C4'-P energy: -107.683
tors. eta vs tors. theta energy: -208.196
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: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2518.279954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.279954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.279954 (E_RNA)
where:
Base-Base interactions energy: -1770.395
where: short stacking energy: -738.227
Base-Backbone interact. energy: -3.298
local terms energy: -744.587232
where:
bonds (distance) C4'-P energy: -131.456
bonds (distance) P-C4' energy: -132.778
flat angles C4'-P-C4' energy: -154.806
flat angles P-C4'-P energy: -106.907
tors. eta vs tors. theta energy: -218.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2416.267134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.267134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.267134 (E_RNA)
where:
Base-Base interactions energy: -1702.154
where: short stacking energy: -701.891
Base-Backbone interact. energy: -3.376
local terms energy: -710.737308
where:
bonds (distance) C4'-P energy: -131.964
bonds (distance) P-C4' energy: -137.017
flat angles C4'-P-C4' energy: -150.392
flat angles P-C4'-P energy: -102.685
tors. eta vs tors. theta energy: -188.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2361.706491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.706491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.706491 (E_RNA)
where:
Base-Base interactions energy: -1685.819
where: short stacking energy: -685.911
Base-Backbone interact. energy: -3.970
local terms energy: -671.917162
where:
bonds (distance) C4'-P energy: -102.366
bonds (distance) P-C4' energy: -125.729
flat angles C4'-P-C4' energy: -143.717
flat angles P-C4'-P energy: -99.175
tors. eta vs tors. theta energy: -200.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2246.244846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.244846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.244846 (E_RNA)
where:
Base-Base interactions energy: -1578.091
where: short stacking energy: -649.139
Base-Backbone interact. energy: -2.647
local terms energy: -665.507537
where:
bonds (distance) C4'-P energy: -119.044
bonds (distance) P-C4' energy: -126.982
flat angles C4'-P-C4' energy: -136.526
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -190.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -2145.786751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.786751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.786751 (E_RNA)
where:
Base-Base interactions energy: -1474.249
where: short stacking energy: -632.850
Base-Backbone interact. energy: 0.038
local terms energy: -671.575608
where:
bonds (distance) C4'-P energy: -113.386
bonds (distance) P-C4' energy: -119.869
flat angles C4'-P-C4' energy: -150.073
flat angles P-C4'-P energy: -107.798
tors. eta vs tors. theta energy: -180.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1793.319349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.319349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.319349 (E_RNA)
where:
Base-Base interactions energy: -1247.550
where: short stacking energy: -529.670
Base-Backbone interact. energy: -0.299
local terms energy: -545.470348
where:
bonds (distance) C4'-P energy: -98.397
bonds (distance) P-C4' energy: -117.681
flat angles C4'-P-C4' energy: -123.469
flat angles P-C4'-P energy: -79.080
tors. eta vs tors. theta energy: -126.844
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: 1
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1550.870583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.870583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.870583 (E_RNA)
where:
Base-Base interactions energy: -1031.155
where: short stacking energy: -468.944
Base-Backbone interact. energy: 1.770
local terms energy: -521.485822
where:
bonds (distance) C4'-P energy: -106.620
bonds (distance) P-C4' energy: -125.251
flat angles C4'-P-C4' energy: -138.027
flat angles P-C4'-P energy: -58.032
tors. eta vs tors. theta energy: -93.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1262.753715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.753715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.753715 (E_RNA)
where:
Base-Base interactions energy: -816.723
where: short stacking energy: -344.870
Base-Backbone interact. energy: -2.739
local terms energy: -443.291527
where:
bonds (distance) C4'-P energy: -99.303
bonds (distance) P-C4' energy: -107.891
flat angles C4'-P-C4' energy: -120.012
flat angles P-C4'-P energy: -57.766
tors. eta vs tors. theta energy: -58.320
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: 8
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -919.199665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.199665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.199665 (E_RNA)
where:
Base-Base interactions energy: -503.702
where: short stacking energy: -255.529
Base-Backbone interact. energy: -0.960
local terms energy: -414.537620
where:
bonds (distance) C4'-P energy: -112.076
bonds (distance) P-C4' energy: -128.745
flat angles C4'-P-C4' energy: -123.398
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: 2.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2573.014635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.014635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.014635 (E_RNA)
where:
Base-Base interactions energy: -1799.965
where: short stacking energy: -747.466
Base-Backbone interact. energy: -3.433
local terms energy: -769.616696
where:
bonds (distance) C4'-P energy: -128.313
bonds (distance) P-C4' energy: -149.164
flat angles C4'-P-C4' energy: -157.369
flat angles P-C4'-P energy: -122.936
tors. eta vs tors. theta energy: -211.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2517.223102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.223102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.223102 (E_RNA)
where:
Base-Base interactions energy: -1745.290
where: short stacking energy: -749.380
Base-Backbone interact. energy: -2.637
local terms energy: -769.296699
where:
bonds (distance) C4'-P energy: -144.956
bonds (distance) P-C4' energy: -132.688
flat angles C4'-P-C4' energy: -162.396
flat angles P-C4'-P energy: -103.849
tors. eta vs tors. theta energy: -225.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2422.328659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.328659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.328659 (E_RNA)
where:
Base-Base interactions energy: -1747.793
where: short stacking energy: -745.209
Base-Backbone interact. energy: -2.481
local terms energy: -672.054641
where:
bonds (distance) C4'-P energy: -120.842
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -139.931
flat angles P-C4'-P energy: -89.155
tors. eta vs tors. theta energy: -199.232
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2349.112858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.112858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.112858 (E_RNA)
where:
Base-Base interactions energy: -1642.410
where: short stacking energy: -660.279
Base-Backbone interact. energy: -1.236
local terms energy: -705.466914
where:
bonds (distance) C4'-P energy: -131.972
bonds (distance) P-C4' energy: -131.398
flat angles C4'-P-C4' energy: -153.047
flat angles P-C4'-P energy: -95.993
tors. eta vs tors. theta energy: -193.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2277.272921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.272921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.272921 (E_RNA)
where:
Base-Base interactions energy: -1581.828
where: short stacking energy: -678.654
Base-Backbone interact. energy: -3.153
local terms energy: -692.292266
where:
bonds (distance) C4'-P energy: -131.306
bonds (distance) P-C4' energy: -128.920
flat angles C4'-P-C4' energy: -146.522
flat angles P-C4'-P energy: -87.631
tors. eta vs tors. theta energy: -197.913
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: 363
Temperature: 1.150000
Total energy: -2113.519230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.519230 (E_RNA)
where:
Base-Base interactions energy: -1484.632
where: short stacking energy: -653.873
Base-Backbone interact. energy: -1.162
local terms energy: -627.725958
where:
bonds (distance) C4'-P energy: -110.586
bonds (distance) P-C4' energy: -115.711
flat angles C4'-P-C4' energy: -146.585
flat angles P-C4'-P energy: -77.990
tors. eta vs tors. theta energy: -176.853
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: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1779.776742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.776742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.776742 (E_RNA)
where:
Base-Base interactions energy: -1214.464
where: short stacking energy: -511.576
Base-Backbone interact. energy: 0.590
local terms energy: -565.902290
where:
bonds (distance) C4'-P energy: -120.278
bonds (distance) P-C4' energy: -118.821
flat angles C4'-P-C4' energy: -123.852
flat angles P-C4'-P energy: -87.008
tors. eta vs tors. theta energy: -115.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1517.778307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.778307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.778307 (E_RNA)
where:
Base-Base interactions energy: -1031.255
where: short stacking energy: -444.661
Base-Backbone interact. energy: 1.007
local terms energy: -487.530103
where:
bonds (distance) C4'-P energy: -105.453
bonds (distance) P-C4' energy: -108.524
flat angles C4'-P-C4' energy: -111.103
flat angles P-C4'-P energy: -70.288
tors. eta vs tors. theta energy: -92.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1231.357363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.357363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.357363 (E_RNA)
where:
Base-Base interactions energy: -779.207
where: short stacking energy: -354.083
Base-Backbone interact. energy: 3.216
local terms energy: -455.366185
where:
bonds (distance) C4'-P energy: -108.089
bonds (distance) P-C4' energy: -114.650
flat angles C4'-P-C4' energy: -110.197
flat angles P-C4'-P energy: -56.274
tors. eta vs tors. theta energy: -66.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -916.216167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.216167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.216167 (E_RNA)
where:
Base-Base interactions energy: -528.128
where: short stacking energy: -282.102
Base-Backbone interact. energy: 2.177
local terms energy: -390.265431
where:
bonds (distance) C4'-P energy: -116.353
bonds (distance) P-C4' energy: -101.865
flat angles C4'-P-C4' energy: -116.319
flat angles P-C4'-P energy: -44.156
tors. eta vs tors. theta energy: -11.572
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: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2613.124876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.124876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.124876 (E_RNA)
where:
Base-Base interactions energy: -1828.584
where: short stacking energy: -761.444
Base-Backbone interact. energy: -6.281
local terms energy: -778.260392
where:
bonds (distance) C4'-P energy: -152.633
bonds (distance) P-C4' energy: -132.807
flat angles C4'-P-C4' energy: -161.353
flat angles P-C4'-P energy: -120.409
tors. eta vs tors. theta energy: -211.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2542.253906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.253906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.253906 (E_RNA)
where:
Base-Base interactions energy: -1805.838
where: short stacking energy: -744.436
Base-Backbone interact. energy: -3.606
local terms energy: -732.810207
where:
bonds (distance) C4'-P energy: -137.457
bonds (distance) P-C4' energy: -129.447
flat angles C4'-P-C4' energy: -151.097
flat angles P-C4'-P energy: -95.111
tors. eta vs tors. theta energy: -219.699
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: 364
Temperature: 1.000000
Total energy: -2427.903558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.903558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.903558 (E_RNA)
where:
Base-Base interactions energy: -1701.981
where: short stacking energy: -701.767
Base-Backbone interact. energy: -7.479
local terms energy: -718.443448
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -145.465
flat angles C4'-P-C4' energy: -158.386
flat angles P-C4'-P energy: -97.336
tors. eta vs tors. theta energy: -193.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2358.008517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.008517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.008517 (E_RNA)
where:
Base-Base interactions energy: -1680.057
where: short stacking energy: -672.803
Base-Backbone interact. energy: -2.494
local terms energy: -675.457318
where:
bonds (distance) C4'-P energy: -117.883
bonds (distance) P-C4' energy: -134.319
flat angles C4'-P-C4' energy: -134.044
flat angles P-C4'-P energy: -97.154
tors. eta vs tors. theta energy: -192.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -2276.830828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.830828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.830828 (E_RNA)
where:
Base-Base interactions energy: -1574.762
where: short stacking energy: -686.650
Base-Backbone interact. energy: -1.827
local terms energy: -700.241111
where:
bonds (distance) C4'-P energy: -125.055
bonds (distance) P-C4' energy: -132.881
flat angles C4'-P-C4' energy: -146.754
flat angles P-C4'-P energy: -94.444
tors. eta vs tors. theta energy: -201.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -2135.765337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.765337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.765337 (E_RNA)
where:
Base-Base interactions energy: -1493.685
where: short stacking energy: -645.216
Base-Backbone interact. energy: 0.394
local terms energy: -642.474805
where:
bonds (distance) C4'-P energy: -122.665
bonds (distance) P-C4' energy: -109.992
flat angles C4'-P-C4' energy: -140.251
flat angles P-C4'-P energy: -91.005
tors. eta vs tors. theta energy: -178.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1840.174501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.174501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.174501 (E_RNA)
where:
Base-Base interactions energy: -1292.366
where: short stacking energy: -525.556
Base-Backbone interact. energy: -1.736
local terms energy: -546.073214
where:
bonds (distance) C4'-P energy: -100.149
bonds (distance) P-C4' energy: -109.857
flat angles C4'-P-C4' energy: -140.216
flat angles P-C4'-P energy: -80.980
tors. eta vs tors. theta energy: -114.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1484.902375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.902375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.902375 (E_RNA)
where:
Base-Base interactions energy: -1012.040
where: short stacking energy: -425.181
Base-Backbone interact. energy: 0.055
local terms energy: -472.917433
where:
bonds (distance) C4'-P energy: -99.219
bonds (distance) P-C4' energy: -114.777
flat angles C4'-P-C4' energy: -112.422
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: -76.230
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1205.678423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.678423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.678423 (E_RNA)
where:
Base-Base interactions energy: -740.877
where: short stacking energy: -369.602
Base-Backbone interact. energy: -2.489
local terms energy: -462.312316
where:
bonds (distance) C4'-P energy: -111.635
bonds (distance) P-C4' energy: -121.542
flat angles C4'-P-C4' energy: -110.138
flat angles P-C4'-P energy: -64.410
tors. eta vs tors. theta energy: -54.587
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: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -949.248221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.248221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.248221 (E_RNA)
where:
Base-Base interactions energy: -550.541
where: short stacking energy: -277.053
Base-Backbone interact. energy: 0.723
local terms energy: -399.429809
where:
bonds (distance) C4'-P energy: -105.791
bonds (distance) P-C4' energy: -113.440
flat angles C4'-P-C4' energy: -123.280
flat angles P-C4'-P energy: -42.818
tors. eta vs tors. theta energy: -14.100
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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2605.240750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.240750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.240750 (E_RNA)
where:
Base-Base interactions energy: -1850.785
where: short stacking energy: -752.861
Base-Backbone interact. energy: -4.403
local terms energy: -750.052753
where:
bonds (distance) C4'-P energy: -142.137
bonds (distance) P-C4' energy: -150.450
flat angles C4'-P-C4' energy: -132.927
flat angles P-C4'-P energy: -117.517
tors. eta vs tors. theta energy: -207.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2529.336247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.336247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.336247 (E_RNA)
where:
Base-Base interactions energy: -1804.783
where: short stacking energy: -760.157
Base-Backbone interact. energy: -0.441
local terms energy: -724.112842
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -134.987
flat angles C4'-P-C4' energy: -156.634
flat angles P-C4'-P energy: -104.354
tors. eta vs tors. theta energy: -213.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2387.536217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2387.536217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2387.536217 (E_RNA)
where:
Base-Base interactions energy: -1688.950
where: short stacking energy: -678.440
Base-Backbone interact. energy: -4.220
local terms energy: -694.366274
where:
bonds (distance) C4'-P energy: -123.614
bonds (distance) P-C4' energy: -131.991
flat angles C4'-P-C4' energy: -154.138
flat angles P-C4'-P energy: -103.082
tors. eta vs tors. theta energy: -181.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2372.055707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.055707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.055707 (E_RNA)
where:
Base-Base interactions energy: -1681.032
where: short stacking energy: -687.830
Base-Backbone interact. energy: -3.281
local terms energy: -687.742322
where:
bonds (distance) C4'-P energy: -119.444
bonds (distance) P-C4' energy: -127.656
flat angles C4'-P-C4' energy: -142.251
flat angles P-C4'-P energy: -97.246
tors. eta vs tors. theta energy: -201.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2240.994840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.994840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.994840 (E_RNA)
where:
Base-Base interactions energy: -1569.099
where: short stacking energy: -680.388
Base-Backbone interact. energy: 1.188
local terms energy: -673.084110
where:
bonds (distance) C4'-P energy: -119.508
bonds (distance) P-C4' energy: -120.645
flat angles C4'-P-C4' energy: -144.293
flat angles P-C4'-P energy: -97.281
tors. eta vs tors. theta energy: -191.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -2109.496615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.496615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.496615 (E_RNA)
where:
Base-Base interactions energy: -1436.721
where: short stacking energy: -639.298
Base-Backbone interact. energy: 0.819
local terms energy: -673.594536
where:
bonds (distance) C4'-P energy: -118.958
bonds (distance) P-C4' energy: -127.524
flat angles C4'-P-C4' energy: -149.951
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -176.495
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: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1904.124307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.124307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.124307 (E_RNA)
where:
Base-Base interactions energy: -1321.175
where: short stacking energy: -551.291
Base-Backbone interact. energy: 4.158
local terms energy: -587.107568
where:
bonds (distance) C4'-P energy: -116.831
bonds (distance) P-C4' energy: -116.791
flat angles C4'-P-C4' energy: -144.281
flat angles P-C4'-P energy: -76.934
tors. eta vs tors. theta energy: -132.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1566.094881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.094881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.094881 (E_RNA)
where:
Base-Base interactions energy: -1054.439
where: short stacking energy: -482.115
Base-Backbone interact. energy: 0.946
local terms energy: -512.601617
where:
bonds (distance) C4'-P energy: -103.126
bonds (distance) P-C4' energy: -119.283
flat angles C4'-P-C4' energy: -119.966
flat angles P-C4'-P energy: -82.964
tors. eta vs tors. theta energy: -87.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1215.891896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.891896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.891896 (E_RNA)
where:
Base-Base interactions energy: -766.820
where: short stacking energy: -321.017
Base-Backbone interact. energy: -3.934
local terms energy: -445.138041
where:
bonds (distance) C4'-P energy: -124.277
bonds (distance) P-C4' energy: -114.022
flat angles C4'-P-C4' energy: -112.284
flat angles P-C4'-P energy: -60.295
tors. eta vs tors. theta energy: -34.259
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: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -921.288926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.288926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.288926 (E_RNA)
where:
Base-Base interactions energy: -486.573
where: short stacking energy: -244.153
Base-Backbone interact. energy: -1.670
local terms energy: -433.046631
where:
bonds (distance) C4'-P energy: -113.478
bonds (distance) P-C4' energy: -126.751
flat angles C4'-P-C4' energy: -98.837
flat angles P-C4'-P energy: -75.186
tors. eta vs tors. theta energy: -18.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2620.229882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.229882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.229882 (E_RNA)
where:
Base-Base interactions energy: -1880.693
where: short stacking energy: -758.873
Base-Backbone interact. energy: -0.892
local terms energy: -738.644750
where:
bonds (distance) C4'-P energy: -144.270
bonds (distance) P-C4' energy: -125.420
flat angles C4'-P-C4' energy: -156.938
flat angles P-C4'-P energy: -102.075
tors. eta vs tors. theta energy: -209.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2517.795892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.795892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.795892 (E_RNA)
where:
Base-Base interactions energy: -1787.828
where: short stacking energy: -750.117
Base-Backbone interact. energy: -2.442
local terms energy: -727.526105
where:
bonds (distance) C4'-P energy: -132.165
bonds (distance) P-C4' energy: -131.362
flat angles C4'-P-C4' energy: -153.607
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -213.246
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: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2449.573135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.573135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.573135 (E_RNA)
where:
Base-Base interactions energy: -1749.939
where: short stacking energy: -709.775
Base-Backbone interact. energy: -1.937
local terms energy: -697.697194
where:
bonds (distance) C4'-P energy: -133.977
bonds (distance) P-C4' energy: -122.504
flat angles C4'-P-C4' energy: -159.117
flat angles P-C4'-P energy: -92.281
tors. eta vs tors. theta energy: -189.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2330.553021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.553021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.553021 (E_RNA)
where:
Base-Base interactions energy: -1656.224
where: short stacking energy: -678.127
Base-Backbone interact. energy: -3.971
local terms energy: -670.358208
where:
bonds (distance) C4'-P energy: -114.808
bonds (distance) P-C4' energy: -127.792
flat angles C4'-P-C4' energy: -156.015
flat angles P-C4'-P energy: -92.319
tors. eta vs tors. theta energy: -179.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2219.366326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.366326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.366326 (E_RNA)
where:
Base-Base interactions energy: -1587.088
where: short stacking energy: -670.526
Base-Backbone interact. energy: 2.583
local terms energy: -634.861641
where:
bonds (distance) C4'-P energy: -111.852
bonds (distance) P-C4' energy: -123.142
flat angles C4'-P-C4' energy: -130.933
flat angles P-C4'-P energy: -88.525
tors. eta vs tors. theta energy: -180.410
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: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -2042.843732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.843732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.843732 (E_RNA)
where:
Base-Base interactions energy: -1409.585
where: short stacking energy: -623.126
Base-Backbone interact. energy: -3.497
local terms energy: -629.761350
where:
bonds (distance) C4'-P energy: -114.855
bonds (distance) P-C4' energy: -113.554
flat angles C4'-P-C4' energy: -139.247
flat angles P-C4'-P energy: -86.843
tors. eta vs tors. theta energy: -175.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1920.497433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.497433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.497433 (E_RNA)
where:
Base-Base interactions energy: -1326.282
where: short stacking energy: -541.320
Base-Backbone interact. energy: 0.182
local terms energy: -594.398017
where:
bonds (distance) C4'-P energy: -98.441
bonds (distance) P-C4' energy: -132.440
flat angles C4'-P-C4' energy: -134.884
flat angles P-C4'-P energy: -96.365
tors. eta vs tors. theta energy: -132.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1489.491081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.491081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.491081 (E_RNA)
where:
Base-Base interactions energy: -991.903
where: short stacking energy: -425.196
Base-Backbone interact. energy: -0.375
local terms energy: -497.213274
where:
bonds (distance) C4'-P energy: -106.374
bonds (distance) P-C4' energy: -117.378
flat angles C4'-P-C4' energy: -106.811
flat angles P-C4'-P energy: -69.987
tors. eta vs tors. theta energy: -96.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1246.812552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.812552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.812552 (E_RNA)
where:
Base-Base interactions energy: -803.018
where: short stacking energy: -384.519
Base-Backbone interact. energy: -2.930
local terms energy: -440.863788
where:
bonds (distance) C4'-P energy: -85.095
bonds (distance) P-C4' energy: -130.288
flat angles C4'-P-C4' energy: -106.489
flat angles P-C4'-P energy: -56.810
tors. eta vs tors. theta energy: -62.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -934.955048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.955048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.955048 (E_RNA)
where:
Base-Base interactions energy: -548.309
where: short stacking energy: -281.081
Base-Backbone interact. energy: 3.747
local terms energy: -390.393297
where:
bonds (distance) C4'-P energy: -85.997
bonds (distance) P-C4' energy: -131.825
flat angles C4'-P-C4' energy: -96.687
flat angles P-C4'-P energy: -57.705
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2638.135860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.135860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.135860 (E_RNA)
where:
Base-Base interactions energy: -1859.398
where: short stacking energy: -761.655
Base-Backbone interact. energy: -1.692
local terms energy: -777.045010
where:
bonds (distance) C4'-P energy: -146.820
bonds (distance) P-C4' energy: -142.453
flat angles C4'-P-C4' energy: -156.289
flat angles P-C4'-P energy: -114.795
tors. eta vs tors. theta energy: -216.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2542.817746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.817746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.817746 (E_RNA)
where:
Base-Base interactions energy: -1805.109
where: short stacking energy: -743.226
Base-Backbone interact. energy: -3.816
local terms energy: -733.893221
where:
bonds (distance) C4'-P energy: -125.710
bonds (distance) P-C4' energy: -133.205
flat angles C4'-P-C4' energy: -152.917
flat angles P-C4'-P energy: -109.461
tors. eta vs tors. theta energy: -212.599
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: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2448.238826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.238826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.238826 (E_RNA)
where:
Base-Base interactions energy: -1748.673
where: short stacking energy: -726.392
Base-Backbone interact. energy: -6.431
local terms energy: -693.135476
where:
bonds (distance) C4'-P energy: -120.458
bonds (distance) P-C4' energy: -126.049
flat angles C4'-P-C4' energy: -150.107
flat angles P-C4'-P energy: -105.377
tors. eta vs tors. theta energy: -191.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2370.762278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.762278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.762278 (E_RNA)
where:
Base-Base interactions energy: -1639.105
where: short stacking energy: -684.208
Base-Backbone interact. energy: -3.225
local terms energy: -728.432881
where:
bonds (distance) C4'-P energy: -137.387
bonds (distance) P-C4' energy: -148.333
flat angles C4'-P-C4' energy: -151.144
flat angles P-C4'-P energy: -107.452
tors. eta vs tors. theta energy: -184.116
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: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2197.401112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.401112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.401112 (E_RNA)
where:
Base-Base interactions energy: -1562.385
where: short stacking energy: -624.787
Base-Backbone interact. energy: -3.333
local terms energy: -631.682998
where:
bonds (distance) C4'-P energy: -110.488
bonds (distance) P-C4' energy: -127.234
flat angles C4'-P-C4' energy: -134.435
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -166.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -2054.127858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.127858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.127858 (E_RNA)
where:
Base-Base interactions energy: -1420.368
where: short stacking energy: -608.060
Base-Backbone interact. energy: 0.287
local terms energy: -634.046989
where:
bonds (distance) C4'-P energy: -108.114
bonds (distance) P-C4' energy: -125.248
flat angles C4'-P-C4' energy: -141.705
flat angles P-C4'-P energy: -95.085
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: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1894.625248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.625248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.625248 (E_RNA)
where:
Base-Base interactions energy: -1320.280
where: short stacking energy: -571.761
Base-Backbone interact. energy: -0.374
local terms energy: -573.971132
where:
bonds (distance) C4'-P energy: -101.412
bonds (distance) P-C4' energy: -110.705
flat angles C4'-P-C4' energy: -131.118
flat angles P-C4'-P energy: -80.115
tors. eta vs tors. theta energy: -150.621
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: 8, replica: 1
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1531.193811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.193811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.193811 (E_RNA)
where:
Base-Base interactions energy: -994.174
where: short stacking energy: -452.946
Base-Backbone interact. energy: -3.101
local terms energy: -533.919131
where:
bonds (distance) C4'-P energy: -117.037
bonds (distance) P-C4' energy: -108.768
flat angles C4'-P-C4' energy: -132.121
flat angles P-C4'-P energy: -90.211
tors. eta vs tors. theta energy: -85.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1338.921045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.921045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.921045 (E_RNA)
where:
Base-Base interactions energy: -859.888
where: short stacking energy: -415.570
Base-Backbone interact. energy: 3.651
local terms energy: -482.683919
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -121.152
flat angles P-C4'-P energy: -79.176
tors. eta vs tors. theta energy: -91.657
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: 8
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -930.014389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.014389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.014389 (E_RNA)
where:
Base-Base interactions energy: -557.796
where: short stacking energy: -286.115
Base-Backbone interact. energy: -3.647
local terms energy: -368.571389
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -116.667
flat angles C4'-P-C4' energy: -92.846
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -15.847
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: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2607.877026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.877026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.877026 (E_RNA)
where:
Base-Base interactions energy: -1835.184
where: short stacking energy: -771.317
Base-Backbone interact. energy: -0.076
local terms energy: -772.616790
where:
bonds (distance) C4'-P energy: -136.910
bonds (distance) P-C4' energy: -150.998
flat angles C4'-P-C4' energy: -167.456
flat angles P-C4'-P energy: -108.705
tors. eta vs tors. theta energy: -208.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -2520.078763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.078763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.078763 (E_RNA)
where:
Base-Base interactions energy: -1774.928
where: short stacking energy: -748.915
Base-Backbone interact. energy: -0.721
local terms energy: -744.429751
where:
bonds (distance) C4'-P energy: -137.991
bonds (distance) P-C4' energy: -130.960
flat angles C4'-P-C4' energy: -167.107
flat angles P-C4'-P energy: -99.127
tors. eta vs tors. theta energy: -209.244
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: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2449.889188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.889188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.889188 (E_RNA)
where:
Base-Base interactions energy: -1746.038
where: short stacking energy: -725.042
Base-Backbone interact. energy: -2.811
local terms energy: -701.039588
where:
bonds (distance) C4'-P energy: -130.537
bonds (distance) P-C4' energy: -133.934
flat angles C4'-P-C4' energy: -146.089
flat angles P-C4'-P energy: -92.041
tors. eta vs tors. theta energy: -198.439
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: 368
Temperature: 1.050000
Total energy: -2427.052830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.052830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.052830 (E_RNA)
where:
Base-Base interactions energy: -1735.941
where: short stacking energy: -733.511
Base-Backbone interact. energy: 1.233
local terms energy: -692.345362
where:
bonds (distance) C4'-P energy: -123.571
bonds (distance) P-C4' energy: -125.168
flat angles C4'-P-C4' energy: -153.890
flat angles P-C4'-P energy: -94.287
tors. eta vs tors. theta energy: -195.428
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: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2202.558657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.558657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.558657 (E_RNA)
where:
Base-Base interactions energy: -1525.414
where: short stacking energy: -647.105
Base-Backbone interact. energy: -1.665
local terms energy: -675.479533
where:
bonds (distance) C4'-P energy: -118.543
bonds (distance) P-C4' energy: -136.226
flat angles C4'-P-C4' energy: -141.556
flat angles P-C4'-P energy: -89.679
tors. eta vs tors. theta energy: -189.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -2094.235394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.235394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.235394 (E_RNA)
where:
Base-Base interactions energy: -1439.260
where: short stacking energy: -636.847
Base-Backbone interact. energy: -2.237
local terms energy: -652.737757
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -133.931
flat angles C4'-P-C4' energy: -143.549
flat angles P-C4'-P energy: -88.608
tors. eta vs tors. theta energy: -173.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1855.620319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.620319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.620319 (E_RNA)
where:
Base-Base interactions energy: -1296.288
where: short stacking energy: -540.580
Base-Backbone interact. energy: 0.712
local terms energy: -560.044109
where:
bonds (distance) C4'-P energy: -106.564
bonds (distance) P-C4' energy: -116.229
flat angles C4'-P-C4' energy: -144.195
flat angles P-C4'-P energy: -64.966
tors. eta vs tors. theta energy: -128.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1456.555632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.555632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.555632 (E_RNA)
where:
Base-Base interactions energy: -969.898
where: short stacking energy: -441.271
Base-Backbone interact. energy: 0.361
local terms energy: -487.018276
where:
bonds (distance) C4'-P energy: -107.944
bonds (distance) P-C4' energy: -117.244
flat angles C4'-P-C4' energy: -118.161
flat angles P-C4'-P energy: -61.653
tors. eta vs tors. theta energy: -82.015
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: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1432.350692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.350692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.350692 (E_RNA)
where:
Base-Base interactions energy: -936.490
where: short stacking energy: -395.224
Base-Backbone interact. energy: -0.867
local terms energy: -494.993839
where:
bonds (distance) C4'-P energy: -112.236
bonds (distance) P-C4' energy: -117.601
flat angles C4'-P-C4' energy: -116.021
flat angles P-C4'-P energy: -73.807
tors. eta vs tors. theta energy: -75.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -942.600305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.600305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.600305 (E_RNA)
where:
Base-Base interactions energy: -554.290
where: short stacking energy: -260.973
Base-Backbone interact. energy: 2.917
local terms energy: -391.227530
where:
bonds (distance) C4'-P energy: -115.957
bonds (distance) P-C4' energy: -118.686
flat angles C4'-P-C4' energy: -87.495
flat angles P-C4'-P energy: -55.601
tors. eta vs tors. theta energy: -13.489
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2627.927262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.927262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.927262 (E_RNA)
where:
Base-Base interactions energy: -1849.753
where: short stacking energy: -743.614
Base-Backbone interact. energy: -6.096
local terms energy: -772.077828
where:
bonds (distance) C4'-P energy: -144.182
bonds (distance) P-C4' energy: -154.934
flat angles C4'-P-C4' energy: -164.110
flat angles P-C4'-P energy: -101.812
tors. eta vs tors. theta energy: -207.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2521.160185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.160185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.160185 (E_RNA)
where:
Base-Base interactions energy: -1788.913
where: short stacking energy: -751.608
Base-Backbone interact. energy: -3.482
local terms energy: -728.764864
where:
bonds (distance) C4'-P energy: -140.915
bonds (distance) P-C4' energy: -126.094
flat angles C4'-P-C4' energy: -155.467
flat angles P-C4'-P energy: -88.577
tors. eta vs tors. theta energy: -217.712
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2427.346651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.346651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.346651 (E_RNA)
where:
Base-Base interactions energy: -1710.983
where: short stacking energy: -691.941
Base-Backbone interact. energy: -2.613
local terms energy: -713.751268
where:
bonds (distance) C4'-P energy: -129.738
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -143.511
flat angles P-C4'-P energy: -108.614
tors. eta vs tors. theta energy: -202.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2392.679041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.679041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.679041 (E_RNA)
where:
Base-Base interactions energy: -1689.815
where: short stacking energy: -713.258
Base-Backbone interact. energy: 0.186
local terms energy: -703.049207
where:
bonds (distance) C4'-P energy: -118.419
bonds (distance) P-C4' energy: -129.787
flat angles C4'-P-C4' energy: -157.566
flat angles P-C4'-P energy: -104.030
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: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2227.093104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.093104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.093104 (E_RNA)
where:
Base-Base interactions energy: -1565.884
where: short stacking energy: -653.254
Base-Backbone interact. energy: 6.095
local terms energy: -667.304644
where:
bonds (distance) C4'-P energy: -130.665
bonds (distance) P-C4' energy: -132.954
flat angles C4'-P-C4' energy: -132.980
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -187.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -2132.966595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.966595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.966595 (E_RNA)
where:
Base-Base interactions energy: -1495.971
where: short stacking energy: -656.214
Base-Backbone interact. energy: -2.602
local terms energy: -634.392985
where:
bonds (distance) C4'-P energy: -102.798
bonds (distance) P-C4' energy: -121.516
flat angles C4'-P-C4' energy: -145.943
flat angles P-C4'-P energy: -77.577
tors. eta vs tors. theta energy: -186.558
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: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1842.147927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.147927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.147927 (E_RNA)
where:
Base-Base interactions energy: -1239.423
where: short stacking energy: -521.873
Base-Backbone interact. energy: 5.183
local terms energy: -607.908839
where:
bonds (distance) C4'-P energy: -123.583
bonds (distance) P-C4' energy: -125.947
flat angles C4'-P-C4' energy: -153.992
flat angles P-C4'-P energy: -81.068
tors. eta vs tors. theta energy: -123.318
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: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1517.912501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.912501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.912501 (E_RNA)
where:
Base-Base interactions energy: -1003.757
where: short stacking energy: -444.467
Base-Backbone interact. energy: -2.615
local terms energy: -511.540462
where:
bonds (distance) C4'-P energy: -102.667
bonds (distance) P-C4' energy: -123.823
flat angles C4'-P-C4' energy: -128.597
flat angles P-C4'-P energy: -73.613
tors. eta vs tors. theta energy: -82.842
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: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1392.975733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.975733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.975733 (E_RNA)
where:
Base-Base interactions energy: -924.174
where: short stacking energy: -391.916
Base-Backbone interact. energy: 5.525
local terms energy: -474.326534
where:
bonds (distance) C4'-P energy: -113.251
bonds (distance) P-C4' energy: -112.364
flat angles C4'-P-C4' energy: -109.365
flat angles P-C4'-P energy: -74.097
tors. eta vs tors. theta energy: -65.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -960.958034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.958034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.958034 (E_RNA)
where:
Base-Base interactions energy: -572.954
where: short stacking energy: -296.377
Base-Backbone interact. energy: 2.536
local terms energy: -390.539952
where:
bonds (distance) C4'-P energy: -93.035
bonds (distance) P-C4' energy: -110.720
flat angles C4'-P-C4' energy: -113.831
flat angles P-C4'-P energy: -50.665
tors. eta vs tors. theta energy: -22.288
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: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2610.758613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.758613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.758613 (E_RNA)
where:
Base-Base interactions energy: -1860.911
where: short stacking energy: -759.959
Base-Backbone interact. energy: -3.962
local terms energy: -745.886219
where:
bonds (distance) C4'-P energy: -132.404
bonds (distance) P-C4' energy: -130.737
flat angles C4'-P-C4' energy: -161.251
flat angles P-C4'-P energy: -111.914
tors. eta vs tors. theta energy: -209.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2527.094203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.094203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.094203 (E_RNA)
where:
Base-Base interactions energy: -1755.244
where: short stacking energy: -742.740
Base-Backbone interact. energy: -0.756
local terms energy: -771.094644
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -131.503
flat angles C4'-P-C4' energy: -167.745
flat angles P-C4'-P energy: -122.813
tors. eta vs tors. theta energy: -215.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2497.886784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.886784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.886784 (E_RNA)
where:
Base-Base interactions energy: -1778.737
where: short stacking energy: -704.531
Base-Backbone interact. energy: -0.181
local terms energy: -718.968730
where:
bonds (distance) C4'-P energy: -128.002
bonds (distance) P-C4' energy: -120.214
flat angles C4'-P-C4' energy: -154.450
flat angles P-C4'-P energy: -107.776
tors. eta vs tors. theta energy: -208.527
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: 370
Temperature: 1.050000
Total energy: -2438.857098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.857098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.857098 (E_RNA)
where:
Base-Base interactions energy: -1732.790
where: short stacking energy: -706.038
Base-Backbone interact. energy: -2.919
local terms energy: -703.148063
where:
bonds (distance) C4'-P energy: -119.955
bonds (distance) P-C4' energy: -134.830
flat angles C4'-P-C4' energy: -143.721
flat angles P-C4'-P energy: -102.027
tors. eta vs tors. theta energy: -202.616
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: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2224.711646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.711646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.711646 (E_RNA)
where:
Base-Base interactions energy: -1577.205
where: short stacking energy: -649.823
Base-Backbone interact. energy: -1.984
local terms energy: -645.522336
where:
bonds (distance) C4'-P energy: -111.369
bonds (distance) P-C4' energy: -128.762
flat angles C4'-P-C4' energy: -140.631
flat angles P-C4'-P energy: -86.289
tors. eta vs tors. theta energy: -178.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -2089.461692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.461692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.461692 (E_RNA)
where:
Base-Base interactions energy: -1436.254
where: short stacking energy: -617.780
Base-Backbone interact. energy: -4.640
local terms energy: -648.567091
where:
bonds (distance) C4'-P energy: -119.255
bonds (distance) P-C4' energy: -129.651
flat angles C4'-P-C4' energy: -142.069
flat angles P-C4'-P energy: -90.427
tors. eta vs tors. theta energy: -167.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1841.537305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.537305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.537305 (E_RNA)
where:
Base-Base interactions energy: -1251.900
where: short stacking energy: -502.034
Base-Backbone interact. energy: 0.920
local terms energy: -590.556891
where:
bonds (distance) C4'-P energy: -125.470
bonds (distance) P-C4' energy: -132.524
flat angles C4'-P-C4' energy: -120.592
flat angles P-C4'-P energy: -87.090
tors. eta vs tors. theta energy: -124.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1548.046878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.046878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.046878 (E_RNA)
where:
Base-Base interactions energy: -997.581
where: short stacking energy: -463.988
Base-Backbone interact. energy: -1.337
local terms energy: -549.128918
where:
bonds (distance) C4'-P energy: -114.202
bonds (distance) P-C4' energy: -121.066
flat angles C4'-P-C4' energy: -121.631
flat angles P-C4'-P energy: -81.671
tors. eta vs tors. theta energy: -110.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1431.258233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.258233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.258233 (E_RNA)
where:
Base-Base interactions energy: -957.843
where: short stacking energy: -407.842
Base-Backbone interact. energy: 0.636
local terms energy: -474.051083
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -109.321
flat angles C4'-P-C4' energy: -114.535
flat angles P-C4'-P energy: -51.258
tors. eta vs tors. theta energy: -84.582
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: 10, replica: 8
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -955.932018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.932018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.932018 (E_RNA)
where:
Base-Base interactions energy: -578.821
where: short stacking energy: -300.129
Base-Backbone interact. energy: 0.524
local terms energy: -377.635556
where:
bonds (distance) C4'-P energy: -93.823
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -94.252
flat angles P-C4'-P energy: -54.054
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2622.122194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.122194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.122194 (E_RNA)
where:
Base-Base interactions energy: -1870.307
where: short stacking energy: -748.202
Base-Backbone interact. energy: -4.349
local terms energy: -747.466086
where:
bonds (distance) C4'-P energy: -136.349
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -150.712
flat angles P-C4'-P energy: -108.757
tors. eta vs tors. theta energy: -218.356
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: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2508.016482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.016482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.016482 (E_RNA)
where:
Base-Base interactions energy: -1779.906
where: short stacking energy: -733.820
Base-Backbone interact. energy: 0.886
local terms energy: -728.995970
where:
bonds (distance) C4'-P energy: -145.603
bonds (distance) P-C4' energy: -119.822
flat angles C4'-P-C4' energy: -157.343
flat angles P-C4'-P energy: -94.880
tors. eta vs tors. theta energy: -211.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -2475.512347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.512347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.512347 (E_RNA)
where:
Base-Base interactions energy: -1731.055
where: short stacking energy: -727.068
Base-Backbone interact. energy: 4.908
local terms energy: -749.364580
where:
bonds (distance) C4'-P energy: -140.936
bonds (distance) P-C4' energy: -140.109
flat angles C4'-P-C4' energy: -152.774
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -216.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2418.495650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.495650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.495650 (E_RNA)
where:
Base-Base interactions energy: -1696.627
where: short stacking energy: -680.893
Base-Backbone interact. energy: -4.585
local terms energy: -717.284209
where:
bonds (distance) C4'-P energy: -132.704
bonds (distance) P-C4' energy: -133.942
flat angles C4'-P-C4' energy: -156.909
flat angles P-C4'-P energy: -92.318
tors. eta vs tors. theta energy: -201.411
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: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2214.632361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.632361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.632361 (E_RNA)
where:
Base-Base interactions energy: -1547.659
where: short stacking energy: -629.551
Base-Backbone interact. energy: -4.625
local terms energy: -662.348222
where:
bonds (distance) C4'-P energy: -128.599
bonds (distance) P-C4' energy: -122.826
flat angles C4'-P-C4' energy: -145.139
flat angles P-C4'-P energy: -93.100
tors. eta vs tors. theta energy: -172.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2097.774647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.774647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.774647 (E_RNA)
where:
Base-Base interactions energy: -1469.977
where: short stacking energy: -660.179
Base-Backbone interact. energy: -2.039
local terms energy: -625.758643
where:
bonds (distance) C4'-P energy: -103.987
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -143.839
flat angles P-C4'-P energy: -99.163
tors. eta vs tors. theta energy: -170.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1874.749778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.749778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.749778 (E_RNA)
where:
Base-Base interactions energy: -1285.867
where: short stacking energy: -521.245
Base-Backbone interact. energy: 1.166
local terms energy: -590.049722
where:
bonds (distance) C4'-P energy: -110.166
bonds (distance) P-C4' energy: -120.977
flat angles C4'-P-C4' energy: -132.883
flat angles P-C4'-P energy: -92.523
tors. eta vs tors. theta energy: -133.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1626.523495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.523495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.523495 (E_RNA)
where:
Base-Base interactions energy: -1092.405
where: short stacking energy: -468.753
Base-Backbone interact. energy: -1.652
local terms energy: -532.466458
where:
bonds (distance) C4'-P energy: -113.912
bonds (distance) P-C4' energy: -109.378
flat angles C4'-P-C4' energy: -114.436
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -105.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1376.678725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.678725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.678725 (E_RNA)
where:
Base-Base interactions energy: -914.752
where: short stacking energy: -387.497
Base-Backbone interact. energy: -2.118
local terms energy: -459.809488
where:
bonds (distance) C4'-P energy: -123.352
bonds (distance) P-C4' energy: -112.653
flat angles C4'-P-C4' energy: -109.007
flat angles P-C4'-P energy: -51.012
tors. eta vs tors. theta energy: -63.786
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: 10, replica: 8
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -980.132808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.132808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.132808 (E_RNA)
where:
Base-Base interactions energy: -548.020
where: short stacking energy: -282.102
Base-Backbone interact. energy: 3.385
local terms energy: -435.498303
where:
bonds (distance) C4'-P energy: -118.409
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -102.479
flat angles P-C4'-P energy: -45.493
tors. eta vs tors. theta energy: -33.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2631.058732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.058732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.058732 (E_RNA)
where:
Base-Base interactions energy: -1869.206
where: short stacking energy: -758.975
Base-Backbone interact. energy: -3.649
local terms energy: -758.204472
where:
bonds (distance) C4'-P energy: -142.263
bonds (distance) P-C4' energy: -151.579
flat angles C4'-P-C4' energy: -159.424
flat angles P-C4'-P energy: -97.118
tors. eta vs tors. theta energy: -207.820
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2555.158545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.158545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.158545 (E_RNA)
where:
Base-Base interactions energy: -1791.488
where: short stacking energy: -736.076
Base-Backbone interact. energy: -4.367
local terms energy: -759.303769
where:
bonds (distance) C4'-P energy: -141.636
bonds (distance) P-C4' energy: -147.127
flat angles C4'-P-C4' energy: -154.265
flat angles P-C4'-P energy: -113.212
tors. eta vs tors. theta energy: -203.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2474.678804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.678804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.678804 (E_RNA)
where:
Base-Base interactions energy: -1732.809
where: short stacking energy: -730.238
Base-Backbone interact. energy: -5.841
local terms energy: -736.028190
where:
bonds (distance) C4'-P energy: -132.186
bonds (distance) P-C4' energy: -127.874
flat angles C4'-P-C4' energy: -157.519
flat angles P-C4'-P energy: -113.484
tors. eta vs tors. theta energy: -204.966
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: 372
Temperature: 1.050000
Total energy: -2366.276677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.276677 (E_RNA)
where:
Base-Base interactions energy: -1668.551
where: short stacking energy: -686.740
Base-Backbone interact. energy: -3.836
local terms energy: -693.889628
where:
bonds (distance) C4'-P energy: -118.454
bonds (distance) P-C4' energy: -134.423
flat angles C4'-P-C4' energy: -152.257
flat angles P-C4'-P energy: -104.330
tors. eta vs tors. theta energy: -184.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2218.054773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.054773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.054773 (E_RNA)
where:
Base-Base interactions energy: -1582.609
where: short stacking energy: -696.172
Base-Backbone interact. energy: -4.063
local terms energy: -631.382616
where:
bonds (distance) C4'-P energy: -108.514
bonds (distance) P-C4' energy: -128.291
flat angles C4'-P-C4' energy: -139.728
flat angles P-C4'-P energy: -84.726
tors. eta vs tors. theta energy: -170.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -2159.457807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.457807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.457807 (E_RNA)
where:
Base-Base interactions energy: -1479.437
where: short stacking energy: -641.412
Base-Backbone interact. energy: 1.184
local terms energy: -681.204437
where:
bonds (distance) C4'-P energy: -122.262
bonds (distance) P-C4' energy: -120.304
flat angles C4'-P-C4' energy: -146.877
flat angles P-C4'-P energy: -108.027
tors. eta vs tors. theta energy: -183.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1910.372059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.372059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.372059 (E_RNA)
where:
Base-Base interactions energy: -1334.950
where: short stacking energy: -561.783
Base-Backbone interact. energy: 1.261
local terms energy: -576.683091
where:
bonds (distance) C4'-P energy: -120.505
bonds (distance) P-C4' energy: -120.737
flat angles C4'-P-C4' energy: -126.696
flat angles P-C4'-P energy: -71.646
tors. eta vs tors. theta energy: -137.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1617.216977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.216977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.216977 (E_RNA)
where:
Base-Base interactions energy: -1091.388
where: short stacking energy: -501.881
Base-Backbone interact. energy: 3.056
local terms energy: -528.884867
where:
bonds (distance) C4'-P energy: -109.843
bonds (distance) P-C4' energy: -121.760
flat angles C4'-P-C4' energy: -120.524
flat angles P-C4'-P energy: -73.970
tors. eta vs tors. theta energy: -102.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1434.753670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.753670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.753670 (E_RNA)
where:
Base-Base interactions energy: -931.493
where: short stacking energy: -412.464
Base-Backbone interact. energy: -2.287
local terms energy: -500.973733
where:
bonds (distance) C4'-P energy: -106.223
bonds (distance) P-C4' energy: -130.779
flat angles C4'-P-C4' energy: -111.842
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -82.605
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: 8
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -962.837048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.837048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.837048 (E_RNA)
where:
Base-Base interactions energy: -578.034
where: short stacking energy: -274.306
Base-Backbone interact. energy: 0.770
local terms energy: -385.572594
where:
bonds (distance) C4'-P energy: -84.344
bonds (distance) P-C4' energy: -111.435
flat angles C4'-P-C4' energy: -99.433
flat angles P-C4'-P energy: -61.015
tors. eta vs tors. theta energy: -29.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2580.189788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.189788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.189788 (E_RNA)
where:
Base-Base interactions energy: -1831.767
where: short stacking energy: -757.090
Base-Backbone interact. energy: -7.456
local terms energy: -740.967314
where:
bonds (distance) C4'-P energy: -124.358
bonds (distance) P-C4' energy: -136.689
flat angles C4'-P-C4' energy: -167.719
flat angles P-C4'-P energy: -104.107
tors. eta vs tors. theta energy: -208.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2528.787671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.787671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.787671 (E_RNA)
where:
Base-Base interactions energy: -1792.203
where: short stacking energy: -757.416
Base-Backbone interact. energy: -3.049
local terms energy: -733.535191
where:
bonds (distance) C4'-P energy: -125.599
bonds (distance) P-C4' energy: -136.725
flat angles C4'-P-C4' energy: -159.594
flat angles P-C4'-P energy: -104.766
tors. eta vs tors. theta energy: -206.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2494.616800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.616800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.616800 (E_RNA)
where:
Base-Base interactions energy: -1737.108
where: short stacking energy: -741.495
Base-Backbone interact. energy: -1.606
local terms energy: -755.903013
where:
bonds (distance) C4'-P energy: -136.199
bonds (distance) P-C4' energy: -133.803
flat angles C4'-P-C4' energy: -158.543
flat angles P-C4'-P energy: -109.163
tors. eta vs tors. theta energy: -218.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2381.966064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.966064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.966064 (E_RNA)
where:
Base-Base interactions energy: -1719.908
where: short stacking energy: -727.158
Base-Backbone interact. energy: -1.126
local terms energy: -660.932192
where:
bonds (distance) C4'-P energy: -113.910
bonds (distance) P-C4' energy: -127.433
flat angles C4'-P-C4' energy: -140.975
flat angles P-C4'-P energy: -81.203
tors. eta vs tors. theta energy: -197.411
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: 5, replica: 6
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2272.349248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.349248 (E_RNA)
where:
Base-Base interactions energy: -1575.634
where: short stacking energy: -667.687
Base-Backbone interact. energy: -2.962
local terms energy: -693.753099
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -132.791
flat angles C4'-P-C4' energy: -146.243
flat angles P-C4'-P energy: -99.446
tors. eta vs tors. theta energy: -190.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -2110.990584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.990584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.990584 (E_RNA)
where:
Base-Base interactions energy: -1466.309
where: short stacking energy: -666.390
Base-Backbone interact. energy: 0.532
local terms energy: -645.213486
where:
bonds (distance) C4'-P energy: -122.739
bonds (distance) P-C4' energy: -116.065
flat angles C4'-P-C4' energy: -139.917
flat angles P-C4'-P energy: -88.196
tors. eta vs tors. theta energy: -178.298
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: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1868.119636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.119636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.119636 (E_RNA)
where:
Base-Base interactions energy: -1268.086
where: short stacking energy: -541.514
Base-Backbone interact. energy: -3.226
local terms energy: -596.807662
where:
bonds (distance) C4'-P energy: -117.041
bonds (distance) P-C4' energy: -127.383
flat angles C4'-P-C4' energy: -137.586
flat angles P-C4'-P energy: -82.404
tors. eta vs tors. theta energy: -132.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1590.614464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.614464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.614464 (E_RNA)
where:
Base-Base interactions energy: -1081.713
where: short stacking energy: -470.071
Base-Backbone interact. energy: 9.038
local terms energy: -517.939446
where:
bonds (distance) C4'-P energy: -116.802
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -123.692
flat angles P-C4'-P energy: -71.900
tors. eta vs tors. theta energy: -92.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1420.191623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.191623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.191623 (E_RNA)
where:
Base-Base interactions energy: -935.873
where: short stacking energy: -387.311
Base-Backbone interact. energy: 1.159
local terms energy: -485.477448
where:
bonds (distance) C4'-P energy: -107.946
bonds (distance) P-C4' energy: -123.779
flat angles C4'-P-C4' energy: -113.678
flat angles P-C4'-P energy: -64.452
tors. eta vs tors. theta energy: -75.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -941.288776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.288776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.288776 (E_RNA)
where:
Base-Base interactions energy: -541.730
where: short stacking energy: -262.472
Base-Backbone interact. energy: -2.861
local terms energy: -396.698095
where:
bonds (distance) C4'-P energy: -115.253
bonds (distance) P-C4' energy: -120.456
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -55.820
tors. eta vs tors. theta energy: -14.385
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: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2598.720549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.720549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.720549 (E_RNA)
where:
Base-Base interactions energy: -1840.891
where: short stacking energy: -753.912
Base-Backbone interact. energy: -3.483
local terms energy: -754.346431
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -136.411
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -121.170
tors. eta vs tors. theta energy: -209.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2517.922638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.922638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.922638 (E_RNA)
where:
Base-Base interactions energy: -1804.761
where: short stacking energy: -747.441
Base-Backbone interact. energy: -2.563
local terms energy: -710.599539
where:
bonds (distance) C4'-P energy: -115.347
bonds (distance) P-C4' energy: -137.519
flat angles C4'-P-C4' energy: -157.142
flat angles P-C4'-P energy: -100.808
tors. eta vs tors. theta energy: -199.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2501.853602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.853602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.853602 (E_RNA)
where:
Base-Base interactions energy: -1775.363
where: short stacking energy: -759.381
Base-Backbone interact. energy: -4.098
local terms energy: -722.392851
where:
bonds (distance) C4'-P energy: -128.870
bonds (distance) P-C4' energy: -125.514
flat angles C4'-P-C4' energy: -154.690
flat angles P-C4'-P energy: -94.490
tors. eta vs tors. theta energy: -218.829
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: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2404.104335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.104335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.104335 (E_RNA)
where:
Base-Base interactions energy: -1726.494
where: short stacking energy: -698.365
Base-Backbone interact. energy: -4.091
local terms energy: -673.519382
where:
bonds (distance) C4'-P energy: -117.336
bonds (distance) P-C4' energy: -111.763
flat angles C4'-P-C4' energy: -160.291
flat angles P-C4'-P energy: -102.305
tors. eta vs tors. theta energy: -181.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2198.170712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.170712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.170712 (E_RNA)
where:
Base-Base interactions energy: -1541.903
where: short stacking energy: -669.125
Base-Backbone interact. energy: 2.362
local terms energy: -658.630019
where:
bonds (distance) C4'-P energy: -115.179
bonds (distance) P-C4' energy: -138.820
flat angles C4'-P-C4' energy: -134.492
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -187.600
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: 374
Temperature: 1.150000
Total energy: -2058.228031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.228031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.228031 (E_RNA)
where:
Base-Base interactions energy: -1421.213
where: short stacking energy: -636.398
Base-Backbone interact. energy: -2.259
local terms energy: -634.756231
where:
bonds (distance) C4'-P energy: -122.657
bonds (distance) P-C4' energy: -119.249
flat angles C4'-P-C4' energy: -134.192
flat angles P-C4'-P energy: -87.333
tors. eta vs tors. theta energy: -171.324
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: 9
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1895.370649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.370649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.370649 (E_RNA)
where:
Base-Base interactions energy: -1313.592
where: short stacking energy: -587.214
Base-Backbone interact. energy: -4.213
local terms energy: -577.565381
where:
bonds (distance) C4'-P energy: -122.994
bonds (distance) P-C4' energy: -109.538
flat angles C4'-P-C4' energy: -119.026
flat angles P-C4'-P energy: -70.506
tors. eta vs tors. theta energy: -155.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1652.972632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.972632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.972632 (E_RNA)
where:
Base-Base interactions energy: -1154.074
where: short stacking energy: -493.694
Base-Backbone interact. energy: -0.103
local terms energy: -498.795516
where:
bonds (distance) C4'-P energy: -114.155
bonds (distance) P-C4' energy: -91.236
flat angles C4'-P-C4' energy: -122.142
flat angles P-C4'-P energy: -65.532
tors. eta vs tors. theta energy: -105.730
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: 9, replica: 1
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1345.198106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.198106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.198106 (E_RNA)
where:
Base-Base interactions energy: -881.681
where: short stacking energy: -401.298
Base-Backbone interact. energy: -0.038
local terms energy: -463.479314
where:
bonds (distance) C4'-P energy: -88.965
bonds (distance) P-C4' energy: -109.308
flat angles C4'-P-C4' energy: -129.320
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -77.571
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: 8
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -982.345030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.345030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.345030 (E_RNA)
where:
Base-Base interactions energy: -574.892
where: short stacking energy: -312.334
Base-Backbone interact. energy: 1.873
local terms energy: -409.325552
where:
bonds (distance) C4'-P energy: -108.618
bonds (distance) P-C4' energy: -109.641
flat angles C4'-P-C4' energy: -105.310
flat angles P-C4'-P energy: -59.942
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2599.453404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.453404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.453404 (E_RNA)
where:
Base-Base interactions energy: -1847.932
where: short stacking energy: -765.724
Base-Backbone interact. energy: -7.635
local terms energy: -743.886018
where:
bonds (distance) C4'-P energy: -137.434
bonds (distance) P-C4' energy: -129.965
flat angles C4'-P-C4' energy: -161.896
flat angles P-C4'-P energy: -100.331
tors. eta vs tors. theta energy: -214.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -2540.695593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.695593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.695593 (E_RNA)
where:
Base-Base interactions energy: -1792.079
where: short stacking energy: -760.925
Base-Backbone interact. energy: 1.261
local terms energy: -749.876775
where:
bonds (distance) C4'-P energy: -128.059
bonds (distance) P-C4' energy: -132.691
flat angles C4'-P-C4' energy: -161.750
flat angles P-C4'-P energy: -109.352
tors. eta vs tors. theta energy: -218.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2510.134986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.134986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.134986 (E_RNA)
where:
Base-Base interactions energy: -1801.061
where: short stacking energy: -723.868
Base-Backbone interact. energy: 0.852
local terms energy: -709.925302
where:
bonds (distance) C4'-P energy: -125.742
bonds (distance) P-C4' energy: -136.376
flat angles C4'-P-C4' energy: -155.935
flat angles P-C4'-P energy: -91.655
tors. eta vs tors. theta energy: -200.218
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: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2428.273771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.273771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.273771 (E_RNA)
where:
Base-Base interactions energy: -1713.505
where: short stacking energy: -692.677
Base-Backbone interact. energy: -2.005
local terms energy: -712.763265
where:
bonds (distance) C4'-P energy: -128.205
bonds (distance) P-C4' energy: -120.050
flat angles C4'-P-C4' energy: -156.332
flat angles P-C4'-P energy: -110.575
tors. eta vs tors. theta energy: -197.601
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: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2209.541164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.541164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.541164 (E_RNA)
where:
Base-Base interactions energy: -1530.661
where: short stacking energy: -659.415
Base-Backbone interact. energy: -3.721
local terms energy: -675.159704
where:
bonds (distance) C4'-P energy: -123.542
bonds (distance) P-C4' energy: -120.058
flat angles C4'-P-C4' energy: -148.638
flat angles P-C4'-P energy: -96.679
tors. eta vs tors. theta energy: -186.243
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: 375
Temperature: 1.150000
Total energy: -2058.044904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.044904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.044904 (E_RNA)
where:
Base-Base interactions energy: -1428.589
where: short stacking energy: -585.303
Base-Backbone interact. energy: -0.784
local terms energy: -628.671661
where:
bonds (distance) C4'-P energy: -111.580
bonds (distance) P-C4' energy: -119.597
flat angles C4'-P-C4' energy: -134.421
flat angles P-C4'-P energy: -85.967
tors. eta vs tors. theta energy: -177.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1869.886872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.886872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.886872 (E_RNA)
where:
Base-Base interactions energy: -1298.625
where: short stacking energy: -548.391
Base-Backbone interact. energy: 0.155
local terms energy: -571.417229
where:
bonds (distance) C4'-P energy: -116.212
bonds (distance) P-C4' energy: -133.368
flat angles C4'-P-C4' energy: -117.750
flat angles P-C4'-P energy: -82.641
tors. eta vs tors. theta energy: -121.447
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: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1745.188804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.188804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.188804 (E_RNA)
where:
Base-Base interactions energy: -1191.774
where: short stacking energy: -538.195
Base-Backbone interact. energy: -1.314
local terms energy: -552.101616
where:
bonds (distance) C4'-P energy: -99.115
bonds (distance) P-C4' energy: -117.681
flat angles C4'-P-C4' energy: -136.161
flat angles P-C4'-P energy: -85.224
tors. eta vs tors. theta energy: -113.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1354.029023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.029023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.029023 (E_RNA)
where:
Base-Base interactions energy: -861.517
where: short stacking energy: -392.920
Base-Backbone interact. energy: 0.752
local terms energy: -493.263900
where:
bonds (distance) C4'-P energy: -110.143
bonds (distance) P-C4' energy: -103.789
flat angles C4'-P-C4' energy: -122.699
flat angles P-C4'-P energy: -82.790
tors. eta vs tors. theta energy: -73.843
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: 8
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -998.651388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.651388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.651388 (E_RNA)
where:
Base-Base interactions energy: -567.801
where: short stacking energy: -269.287
Base-Backbone interact. energy: -4.358
local terms energy: -426.492074
where:
bonds (distance) C4'-P energy: -121.049
bonds (distance) P-C4' energy: -126.175
flat angles C4'-P-C4' energy: -97.801
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -28.789
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: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2565.793679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.793679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.793679 (E_RNA)
where:
Base-Base interactions energy: -1801.058
where: short stacking energy: -775.588
Base-Backbone interact. energy: -2.948
local terms energy: -761.787799
where:
bonds (distance) C4'-P energy: -129.606
bonds (distance) P-C4' energy: -140.329
flat angles C4'-P-C4' energy: -172.257
flat angles P-C4'-P energy: -105.512
tors. eta vs tors. theta energy: -214.084
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: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2527.886682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.886682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.886682 (E_RNA)
where:
Base-Base interactions energy: -1781.172
where: short stacking energy: -707.865
Base-Backbone interact. energy: -6.348
local terms energy: -740.367352
where:
bonds (distance) C4'-P energy: -135.280
bonds (distance) P-C4' energy: -122.772
flat angles C4'-P-C4' energy: -154.026
flat angles P-C4'-P energy: -122.298
tors. eta vs tors. theta energy: -205.991
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: 376
Temperature: 1.000000
Total energy: -2458.414196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.414196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.414196 (E_RNA)
where:
Base-Base interactions energy: -1758.772
where: short stacking energy: -715.504
Base-Backbone interact. energy: -0.491
local terms energy: -699.151062
where:
bonds (distance) C4'-P energy: -132.945
bonds (distance) P-C4' energy: -127.340
flat angles C4'-P-C4' energy: -146.681
flat angles P-C4'-P energy: -94.625
tors. eta vs tors. theta energy: -197.561
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: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2432.267399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.267399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.267399 (E_RNA)
where:
Base-Base interactions energy: -1735.067
where: short stacking energy: -708.144
Base-Backbone interact. energy: -1.513
local terms energy: -695.687152
where:
bonds (distance) C4'-P energy: -122.750
bonds (distance) P-C4' energy: -127.918
flat angles C4'-P-C4' energy: -156.032
flat angles P-C4'-P energy: -100.012
tors. eta vs tors. theta energy: -188.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2202.503543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.503543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.503543 (E_RNA)
where:
Base-Base interactions energy: -1552.948
where: short stacking energy: -660.220
Base-Backbone interact. energy: 1.056
local terms energy: -650.611156
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -113.046
flat angles C4'-P-C4' energy: -131.842
flat angles P-C4'-P energy: -94.020
tors. eta vs tors. theta energy: -187.307
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: 376
Temperature: 1.150000
Total energy: -2116.574549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.574549 (E_RNA)
where:
Base-Base interactions energy: -1454.707
where: short stacking energy: -627.155
Base-Backbone interact. energy: -2.912
local terms energy: -658.955917
where:
bonds (distance) C4'-P energy: -130.098
bonds (distance) P-C4' energy: -106.478
flat angles C4'-P-C4' energy: -149.711
flat angles P-C4'-P energy: -88.211
tors. eta vs tors. theta energy: -184.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1965.863740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.863740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.863740 (E_RNA)
where:
Base-Base interactions energy: -1401.502
where: short stacking energy: -569.098
Base-Backbone interact. energy: -3.976
local terms energy: -560.385649
where:
bonds (distance) C4'-P energy: -120.174
bonds (distance) P-C4' energy: -116.633
flat angles C4'-P-C4' energy: -120.355
flat angles P-C4'-P energy: -65.910
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: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1626.658240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.658240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.658240 (E_RNA)
where:
Base-Base interactions energy: -1106.607
where: short stacking energy: -464.272
Base-Backbone interact. energy: -0.670
local terms energy: -519.380891
where:
bonds (distance) C4'-P energy: -115.930
bonds (distance) P-C4' energy: -122.856
flat angles C4'-P-C4' energy: -117.328
flat angles P-C4'-P energy: -78.013
tors. eta vs tors. theta energy: -85.254
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: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1286.792613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.792613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.792613 (E_RNA)
where:
Base-Base interactions energy: -846.294
where: short stacking energy: -385.675
Base-Backbone interact. energy: 7.429
local terms energy: -447.927505
where:
bonds (distance) C4'-P energy: -99.520
bonds (distance) P-C4' energy: -110.333
flat angles C4'-P-C4' energy: -115.525
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -62.012
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: 10, replica: 8
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -1004.078687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.078687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.078687 (E_RNA)
where:
Base-Base interactions energy: -588.516
where: short stacking energy: -283.503
Base-Backbone interact. energy: -0.648
local terms energy: -414.914390
where:
bonds (distance) C4'-P energy: -109.536
bonds (distance) P-C4' energy: -112.357
flat angles C4'-P-C4' energy: -84.002
flat angles P-C4'-P energy: -84.141
tors. eta vs tors. theta energy: -24.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2594.274901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.274901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.274901 (E_RNA)
where:
Base-Base interactions energy: -1824.438
where: short stacking energy: -768.156
Base-Backbone interact. energy: -3.712
local terms energy: -766.124915
where:
bonds (distance) C4'-P energy: -130.009
bonds (distance) P-C4' energy: -134.828
flat angles C4'-P-C4' energy: -169.754
flat angles P-C4'-P energy: -116.576
tors. eta vs tors. theta energy: -214.958
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: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2546.293184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.293184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.293184 (E_RNA)
where:
Base-Base interactions energy: -1803.588
where: short stacking energy: -739.651
Base-Backbone interact. energy: -3.698
local terms energy: -739.006844
where:
bonds (distance) C4'-P energy: -137.834
bonds (distance) P-C4' energy: -129.345
flat angles C4'-P-C4' energy: -169.677
flat angles P-C4'-P energy: -101.754
tors. eta vs tors. theta energy: -200.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2472.250682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.250682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.250682 (E_RNA)
where:
Base-Base interactions energy: -1739.727
where: short stacking energy: -724.050
Base-Backbone interact. energy: -4.503
local terms energy: -728.020551
where:
bonds (distance) C4'-P energy: -120.734
bonds (distance) P-C4' energy: -133.378
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -103.161
tors. eta vs tors. theta energy: -206.441
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: 377
Temperature: 1.050000
Total energy: -2380.459374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.459374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.459374 (E_RNA)
where:
Base-Base interactions energy: -1689.949
where: short stacking energy: -687.196
Base-Backbone interact. energy: 0.700
local terms energy: -691.210863
where:
bonds (distance) C4'-P energy: -121.880
bonds (distance) P-C4' energy: -131.174
flat angles C4'-P-C4' energy: -161.188
flat angles P-C4'-P energy: -98.537
tors. eta vs tors. theta energy: -178.432
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: 5, replica: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2250.054241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.054241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.054241 (E_RNA)
where:
Base-Base interactions energy: -1592.185
where: short stacking energy: -676.548
Base-Backbone interact. energy: -4.864
local terms energy: -653.005650
where:
bonds (distance) C4'-P energy: -113.224
bonds (distance) P-C4' energy: -114.790
flat angles C4'-P-C4' energy: -141.181
flat angles P-C4'-P energy: -105.982
tors. eta vs tors. theta energy: -177.828
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: 377
Temperature: 1.150000
Total energy: -2142.496288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.496288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.496288 (E_RNA)
where:
Base-Base interactions energy: -1490.575
where: short stacking energy: -642.177
Base-Backbone interact. energy: -0.813
local terms energy: -651.108747
where:
bonds (distance) C4'-P energy: -123.061
bonds (distance) P-C4' energy: -123.425
flat angles C4'-P-C4' energy: -126.704
flat angles P-C4'-P energy: -99.053
tors. eta vs tors. theta energy: -178.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1900.376552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.376552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.376552 (E_RNA)
where:
Base-Base interactions energy: -1319.066
where: short stacking energy: -548.729
Base-Backbone interact. energy: -3.168
local terms energy: -578.142422
where:
bonds (distance) C4'-P energy: -104.351
bonds (distance) P-C4' energy: -127.096
flat angles C4'-P-C4' energy: -129.636
flat angles P-C4'-P energy: -82.157
tors. eta vs tors. theta energy: -134.902
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: 377
Temperature: 1.250000
Total energy: -1650.364831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.364831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.364831 (E_RNA)
where:
Base-Base interactions energy: -1133.416
where: short stacking energy: -473.879
Base-Backbone interact. energy: 3.653
local terms energy: -520.602155
where:
bonds (distance) C4'-P energy: -106.994
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -116.574
flat angles P-C4'-P energy: -72.257
tors. eta vs tors. theta energy: -101.559
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: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1258.114571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.114571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.114571 (E_RNA)
where:
Base-Base interactions energy: -815.479
where: short stacking energy: -385.962
Base-Backbone interact. energy: 0.051
local terms energy: -442.686945
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -93.456
flat angles C4'-P-C4' energy: -114.330
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -66.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -983.776652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.776652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.776652 (E_RNA)
where:
Base-Base interactions energy: -581.265
where: short stacking energy: -270.692
Base-Backbone interact. energy: 0.149
local terms energy: -402.660448
where:
bonds (distance) C4'-P energy: -117.122
bonds (distance) P-C4' energy: -116.146
flat angles C4'-P-C4' energy: -81.139
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2569.536585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.536585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.536585 (E_RNA)
where:
Base-Base interactions energy: -1812.088
where: short stacking energy: -774.095
Base-Backbone interact. energy: 3.746
local terms energy: -761.194334
where:
bonds (distance) C4'-P energy: -128.314
bonds (distance) P-C4' energy: -138.377
flat angles C4'-P-C4' energy: -154.840
flat angles P-C4'-P energy: -116.036
tors. eta vs tors. theta energy: -223.628
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: 7
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2546.394924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.394924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.394924 (E_RNA)
where:
Base-Base interactions energy: -1812.201
where: short stacking energy: -746.220
Base-Backbone interact. energy: -0.106
local terms energy: -734.088114
where:
bonds (distance) C4'-P energy: -124.146
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -171.527
flat angles P-C4'-P energy: -104.093
tors. eta vs tors. theta energy: -204.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2456.452705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.452705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.452705 (E_RNA)
where:
Base-Base interactions energy: -1740.854
where: short stacking energy: -715.385
Base-Backbone interact. energy: -1.294
local terms energy: -714.304836
where:
bonds (distance) C4'-P energy: -131.101
bonds (distance) P-C4' energy: -144.114
flat angles C4'-P-C4' energy: -149.239
flat angles P-C4'-P energy: -95.781
tors. eta vs tors. theta energy: -194.069
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: 378
Temperature: 1.050000
Total energy: -2369.530770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.530770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.530770 (E_RNA)
where:
Base-Base interactions energy: -1690.874
where: short stacking energy: -680.343
Base-Backbone interact. energy: -5.839
local terms energy: -672.817278
where:
bonds (distance) C4'-P energy: -127.511
bonds (distance) P-C4' energy: -121.746
flat angles C4'-P-C4' energy: -150.761
flat angles P-C4'-P energy: -97.317
tors. eta vs tors. theta energy: -175.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2235.451232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.451232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.451232 (E_RNA)
where:
Base-Base interactions energy: -1566.757
where: short stacking energy: -684.652
Base-Backbone interact. energy: -3.746
local terms energy: -664.948480
where:
bonds (distance) C4'-P energy: -114.932
bonds (distance) P-C4' energy: -134.048
flat angles C4'-P-C4' energy: -144.403
flat angles P-C4'-P energy: -85.882
tors. eta vs tors. theta energy: -185.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2113.745341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.745341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.745341 (E_RNA)
where:
Base-Base interactions energy: -1459.992
where: short stacking energy: -659.925
Base-Backbone interact. energy: 1.354
local terms energy: -655.107291
where:
bonds (distance) C4'-P energy: -112.756
bonds (distance) P-C4' energy: -132.162
flat angles C4'-P-C4' energy: -128.828
flat angles P-C4'-P energy: -92.131
tors. eta vs tors. theta energy: -189.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1951.667209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.667209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.667209 (E_RNA)
where:
Base-Base interactions energy: -1356.493
where: short stacking energy: -584.940
Base-Backbone interact. energy: -3.348
local terms energy: -591.825384
where:
bonds (distance) C4'-P energy: -101.712
bonds (distance) P-C4' energy: -124.679
flat angles C4'-P-C4' energy: -138.539
flat angles P-C4'-P energy: -95.739
tors. eta vs tors. theta energy: -131.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1657.329619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.329619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.329619 (E_RNA)
where:
Base-Base interactions energy: -1116.429
where: short stacking energy: -471.929
Base-Backbone interact. energy: -0.059
local terms energy: -540.841922
where:
bonds (distance) C4'-P energy: -104.646
bonds (distance) P-C4' energy: -132.019
flat angles C4'-P-C4' energy: -112.052
flat angles P-C4'-P energy: -88.256
tors. eta vs tors. theta energy: -103.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1249.250364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.250364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.250364 (E_RNA)
where:
Base-Base interactions energy: -817.770
where: short stacking energy: -340.266
Base-Backbone interact. energy: 3.606
local terms energy: -435.086127
where:
bonds (distance) C4'-P energy: -93.548
bonds (distance) P-C4' energy: -71.260
flat angles C4'-P-C4' energy: -120.034
flat angles P-C4'-P energy: -90.278
tors. eta vs tors. theta energy: -59.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -952.604455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.604455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.604455 (E_RNA)
where:
Base-Base interactions energy: -569.788
where: short stacking energy: -302.848
Base-Backbone interact. energy: 2.754
local terms energy: -385.570506
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -115.874
flat angles C4'-P-C4' energy: -92.683
flat angles P-C4'-P energy: -72.095
tors. eta vs tors. theta energy: -6.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2600.332318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.332318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.332318 (E_RNA)
where:
Base-Base interactions energy: -1807.949
where: short stacking energy: -768.823
Base-Backbone interact. energy: 3.979
local terms energy: -796.361540
where:
bonds (distance) C4'-P energy: -142.991
bonds (distance) P-C4' energy: -143.001
flat angles C4'-P-C4' energy: -166.706
flat angles P-C4'-P energy: -119.632
tors. eta vs tors. theta energy: -224.031
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: 7
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2534.258964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.258964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.258964 (E_RNA)
where:
Base-Base interactions energy: -1801.005
where: short stacking energy: -746.843
Base-Backbone interact. energy: 0.076
local terms energy: -733.329343
where:
bonds (distance) C4'-P energy: -130.410
bonds (distance) P-C4' energy: -140.010
flat angles C4'-P-C4' energy: -157.286
flat angles P-C4'-P energy: -94.012
tors. eta vs tors. theta energy: -211.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2444.275507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.275507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.275507 (E_RNA)
where:
Base-Base interactions energy: -1750.151
where: short stacking energy: -712.856
Base-Backbone interact. energy: 1.997
local terms energy: -696.121971
where:
bonds (distance) C4'-P energy: -134.955
bonds (distance) P-C4' energy: -132.408
flat angles C4'-P-C4' energy: -149.570
flat angles P-C4'-P energy: -91.307
tors. eta vs tors. theta energy: -187.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2368.829188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.829188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.829188 (E_RNA)
where:
Base-Base interactions energy: -1659.048
where: short stacking energy: -678.647
Base-Backbone interact. energy: -4.117
local terms energy: -705.663875
where:
bonds (distance) C4'-P energy: -130.650
bonds (distance) P-C4' energy: -147.193
flat angles C4'-P-C4' energy: -146.464
flat angles P-C4'-P energy: -90.562
tors. eta vs tors. theta energy: -190.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2213.185948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.185948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.185948 (E_RNA)
where:
Base-Base interactions energy: -1511.290
where: short stacking energy: -640.776
Base-Backbone interact. energy: -1.859
local terms energy: -700.036690
where:
bonds (distance) C4'-P energy: -123.307
bonds (distance) P-C4' energy: -150.095
flat angles C4'-P-C4' energy: -140.655
flat angles P-C4'-P energy: -100.591
tors. eta vs tors. theta energy: -185.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -2105.594430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.594430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.594430 (E_RNA)
where:
Base-Base interactions energy: -1431.770
where: short stacking energy: -640.296
Base-Backbone interact. energy: 1.254
local terms energy: -675.078294
where:
bonds (distance) C4'-P energy: -118.578
bonds (distance) P-C4' energy: -114.513
flat angles C4'-P-C4' energy: -156.800
flat angles P-C4'-P energy: -99.256
tors. eta vs tors. theta energy: -185.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1944.315337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.315337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.315337 (E_RNA)
where:
Base-Base interactions energy: -1387.731
where: short stacking energy: -575.290
Base-Backbone interact. energy: -0.439
local terms energy: -556.145319
where:
bonds (distance) C4'-P energy: -112.773
bonds (distance) P-C4' energy: -84.116
flat angles C4'-P-C4' energy: -134.224
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -137.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1675.370671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.370671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.370671 (E_RNA)
where:
Base-Base interactions energy: -1134.979
where: short stacking energy: -509.050
Base-Backbone interact. energy: -0.854
local terms energy: -539.537096
where:
bonds (distance) C4'-P energy: -91.532
bonds (distance) P-C4' energy: -125.983
flat angles C4'-P-C4' energy: -117.049
flat angles P-C4'-P energy: -75.809
tors. eta vs tors. theta energy: -129.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1306.299377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.299377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.299377 (E_RNA)
where:
Base-Base interactions energy: -850.877
where: short stacking energy: -392.992
Base-Backbone interact. energy: 0.079
local terms energy: -455.500931
where:
bonds (distance) C4'-P energy: -109.173
bonds (distance) P-C4' energy: -123.652
flat angles C4'-P-C4' energy: -95.680
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: -72.832
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: 8
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -991.826673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.826673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.826673 (E_RNA)
where:
Base-Base interactions energy: -609.013
where: short stacking energy: -316.541
Base-Backbone interact. energy: 2.539
local terms energy: -385.352473
where:
bonds (distance) C4'-P energy: -97.717
bonds (distance) P-C4' energy: -112.542
flat angles C4'-P-C4' energy: -93.235
flat angles P-C4'-P energy: -61.453
tors. eta vs tors. theta energy: -20.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2592.100101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.100101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.100101 (E_RNA)
where:
Base-Base interactions energy: -1806.258
where: short stacking energy: -785.113
Base-Backbone interact. energy: -2.230
local terms energy: -783.611961
where:
bonds (distance) C4'-P energy: -136.650
bonds (distance) P-C4' energy: -144.900
flat angles C4'-P-C4' energy: -168.569
flat angles P-C4'-P energy: -114.455
tors. eta vs tors. theta energy: -219.039
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: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2523.958545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.958545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.958545 (E_RNA)
where:
Base-Base interactions energy: -1769.455
where: short stacking energy: -727.922
Base-Backbone interact. energy: -3.035
local terms energy: -751.468858
where:
bonds (distance) C4'-P energy: -141.487
bonds (distance) P-C4' energy: -130.301
flat angles C4'-P-C4' energy: -159.153
flat angles P-C4'-P energy: -114.620
tors. eta vs tors. theta energy: -205.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2457.788728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.788728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.788728 (E_RNA)
where:
Base-Base interactions energy: -1734.193
where: short stacking energy: -709.263
Base-Backbone interact. energy: -3.072
local terms energy: -720.524186
where:
bonds (distance) C4'-P energy: -134.869
bonds (distance) P-C4' energy: -131.982
flat angles C4'-P-C4' energy: -159.339
flat angles P-C4'-P energy: -92.822
tors. eta vs tors. theta energy: -201.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2375.806257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.806257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.806257 (E_RNA)
where:
Base-Base interactions energy: -1687.549
where: short stacking energy: -688.230
Base-Backbone interact. energy: -2.596
local terms energy: -685.660696
where:
bonds (distance) C4'-P energy: -109.062
bonds (distance) P-C4' energy: -132.877
flat angles C4'-P-C4' energy: -151.397
flat angles P-C4'-P energy: -108.520
tors. eta vs tors. theta energy: -183.805
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: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2250.952791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.952791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.952791 (E_RNA)
where:
Base-Base interactions energy: -1582.222
where: short stacking energy: -677.263
Base-Backbone interact. energy: -5.113
local terms energy: -663.618193
where:
bonds (distance) C4'-P energy: -107.297
bonds (distance) P-C4' energy: -146.136
flat angles C4'-P-C4' energy: -138.328
flat angles P-C4'-P energy: -85.656
tors. eta vs tors. theta energy: -186.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -2108.856933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.856933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.856933 (E_RNA)
where:
Base-Base interactions energy: -1438.409
where: short stacking energy: -629.403
Base-Backbone interact. energy: -2.484
local terms energy: -667.964571
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -130.322
flat angles C4'-P-C4' energy: -148.599
flat angles P-C4'-P energy: -87.024
tors. eta vs tors. theta energy: -191.427
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: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1846.274824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.274824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.274824 (E_RNA)
where:
Base-Base interactions energy: -1299.404
where: short stacking energy: -548.853
Base-Backbone interact. energy: -4.730
local terms energy: -542.141063
where:
bonds (distance) C4'-P energy: -99.344
bonds (distance) P-C4' energy: -108.894
flat angles C4'-P-C4' energy: -135.630
flat angles P-C4'-P energy: -67.349
tors. eta vs tors. theta energy: -130.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1617.142889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.142889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.142889 (E_RNA)
where:
Base-Base interactions energy: -1099.994
where: short stacking energy: -473.128
Base-Backbone interact. energy: -3.950
local terms energy: -513.198432
where:
bonds (distance) C4'-P energy: -102.784
bonds (distance) P-C4' energy: -111.453
flat angles C4'-P-C4' energy: -111.850
flat angles P-C4'-P energy: -78.744
tors. eta vs tors. theta energy: -108.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1294.971130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.971130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.971130 (E_RNA)
where:
Base-Base interactions energy: -876.990
where: short stacking energy: -378.521
Base-Backbone interact. energy: -0.539
local terms energy: -417.441974
where:
bonds (distance) C4'-P energy: -92.739
bonds (distance) P-C4' energy: -112.789
flat angles C4'-P-C4' energy: -100.065
flat angles P-C4'-P energy: -56.198
tors. eta vs tors. theta energy: -55.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -970.478304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.478304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.478304 (E_RNA)
where:
Base-Base interactions energy: -546.045
where: short stacking energy: -274.985
Base-Backbone interact. energy: 2.857
local terms energy: -427.290493
where:
bonds (distance) C4'-P energy: -118.630
bonds (distance) P-C4' energy: -122.353
flat angles C4'-P-C4' energy: -116.560
flat angles P-C4'-P energy: -70.074
tors. eta vs tors. theta energy: 0.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2568.991314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.991314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.991314 (E_RNA)
where:
Base-Base interactions energy: -1800.750
where: short stacking energy: -758.741
Base-Backbone interact. energy: -2.873
local terms energy: -765.368072
where:
bonds (distance) C4'-P energy: -136.340
bonds (distance) P-C4' energy: -132.774
flat angles C4'-P-C4' energy: -164.338
flat angles P-C4'-P energy: -115.508
tors. eta vs tors. theta energy: -216.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2538.138241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.138241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.138241 (E_RNA)
where:
Base-Base interactions energy: -1788.648
where: short stacking energy: -711.441
Base-Backbone interact. energy: -6.069
local terms energy: -743.421106
where:
bonds (distance) C4'-P energy: -144.060
bonds (distance) P-C4' energy: -132.092
flat angles C4'-P-C4' energy: -166.122
flat angles P-C4'-P energy: -108.386
tors. eta vs tors. theta energy: -192.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2458.678724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.678724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.678724 (E_RNA)
where:
Base-Base interactions energy: -1755.281
where: short stacking energy: -733.399
Base-Backbone interact. energy: 3.053
local terms energy: -706.450450
where:
bonds (distance) C4'-P energy: -132.488
bonds (distance) P-C4' energy: -122.576
flat angles C4'-P-C4' energy: -149.399
flat angles P-C4'-P energy: -108.743
tors. eta vs tors. theta energy: -193.245
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: 381
Temperature: 1.050000
Total energy: -2419.708289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.708289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.708289 (E_RNA)
where:
Base-Base interactions energy: -1723.994
where: short stacking energy: -702.953
Base-Backbone interact. energy: -3.745
local terms energy: -691.969350
where:
bonds (distance) C4'-P energy: -130.449
bonds (distance) P-C4' energy: -121.348
flat angles C4'-P-C4' energy: -149.085
flat angles P-C4'-P energy: -105.964
tors. eta vs tors. theta energy: -185.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2258.979636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.979636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.979636 (E_RNA)
where:
Base-Base interactions energy: -1610.824
where: short stacking energy: -665.894
Base-Backbone interact. energy: -0.301
local terms energy: -647.854424
where:
bonds (distance) C4'-P energy: -108.616
bonds (distance) P-C4' energy: -125.077
flat angles C4'-P-C4' energy: -144.691
flat angles P-C4'-P energy: -89.592
tors. eta vs tors. theta energy: -179.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -2147.915350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.915350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.915350 (E_RNA)
where:
Base-Base interactions energy: -1482.473
where: short stacking energy: -619.139
Base-Backbone interact. energy: -2.773
local terms energy: -662.669623
where:
bonds (distance) C4'-P energy: -118.786
bonds (distance) P-C4' energy: -122.093
flat angles C4'-P-C4' energy: -145.342
flat angles P-C4'-P energy: -89.092
tors. eta vs tors. theta energy: -187.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1809.589007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.589007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.589007 (E_RNA)
where:
Base-Base interactions energy: -1249.834
where: short stacking energy: -499.634
Base-Backbone interact. energy: -2.651
local terms energy: -557.103602
where:
bonds (distance) C4'-P energy: -114.691
bonds (distance) P-C4' energy: -116.645
flat angles C4'-P-C4' energy: -129.166
flat angles P-C4'-P energy: -81.631
tors. eta vs tors. theta energy: -114.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1620.012836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.012836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.012836 (E_RNA)
where:
Base-Base interactions energy: -1090.771
where: short stacking energy: -456.527
Base-Backbone interact. energy: 3.084
local terms energy: -532.325840
where:
bonds (distance) C4'-P energy: -97.492
bonds (distance) P-C4' energy: -127.496
flat angles C4'-P-C4' energy: -121.831
flat angles P-C4'-P energy: -90.871
tors. eta vs tors. theta energy: -94.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1245.019002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.019002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.019002 (E_RNA)
where:
Base-Base interactions energy: -791.049
where: short stacking energy: -367.545
Base-Backbone interact. energy: 7.894
local terms energy: -461.863453
where:
bonds (distance) C4'-P energy: -96.980
bonds (distance) P-C4' energy: -128.308
flat angles C4'-P-C4' energy: -99.784
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -57.704
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: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -1009.208787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.208787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.208787 (E_RNA)
where:
Base-Base interactions energy: -600.244
where: short stacking energy: -288.906
Base-Backbone interact. energy: -0.856
local terms energy: -408.108881
where:
bonds (distance) C4'-P energy: -105.627
bonds (distance) P-C4' energy: -109.922
flat angles C4'-P-C4' energy: -114.448
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -26.865
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: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2580.337113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.337113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.337113 (E_RNA)
where:
Base-Base interactions energy: -1806.926
where: short stacking energy: -730.603
Base-Backbone interact. energy: -3.724
local terms energy: -769.687471
where:
bonds (distance) C4'-P energy: -145.430
bonds (distance) P-C4' energy: -139.938
flat angles C4'-P-C4' energy: -167.240
flat angles P-C4'-P energy: -116.733
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: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2562.886997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2562.886997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2562.886997 (E_RNA)
where:
Base-Base interactions energy: -1797.106
where: short stacking energy: -763.008
Base-Backbone interact. energy: -3.907
local terms energy: -761.873899
where:
bonds (distance) C4'-P energy: -137.246
bonds (distance) P-C4' energy: -135.776
flat angles C4'-P-C4' energy: -162.938
flat angles P-C4'-P energy: -112.974
tors. eta vs tors. theta energy: -212.940
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2433.148712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.148712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.148712 (E_RNA)
where:
Base-Base interactions energy: -1733.678
where: short stacking energy: -728.828
Base-Backbone interact. energy: -3.149
local terms energy: -696.322262
where:
bonds (distance) C4'-P energy: -129.299
bonds (distance) P-C4' energy: -126.295
flat angles C4'-P-C4' energy: -138.255
flat angles P-C4'-P energy: -101.950
tors. eta vs tors. theta energy: -200.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -2424.988809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.988809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.988809 (E_RNA)
where:
Base-Base interactions energy: -1711.944
where: short stacking energy: -722.810
Base-Backbone interact. energy: -6.715
local terms energy: -706.330199
where:
bonds (distance) C4'-P energy: -128.233
bonds (distance) P-C4' energy: -132.540
flat angles C4'-P-C4' energy: -147.157
flat angles P-C4'-P energy: -95.560
tors. eta vs tors. theta energy: -202.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2258.009860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.009860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.009860 (E_RNA)
where:
Base-Base interactions energy: -1601.246
where: short stacking energy: -681.521
Base-Backbone interact. energy: -5.540
local terms energy: -651.224034
where:
bonds (distance) C4'-P energy: -123.159
bonds (distance) P-C4' energy: -124.614
flat angles C4'-P-C4' energy: -133.410
flat angles P-C4'-P energy: -83.961
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: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -2149.638093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.638093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.638093 (E_RNA)
where:
Base-Base interactions energy: -1480.757
where: short stacking energy: -638.046
Base-Backbone interact. energy: 0.805
local terms energy: -669.686087
where:
bonds (distance) C4'-P energy: -131.585
bonds (distance) P-C4' energy: -128.242
flat angles C4'-P-C4' energy: -133.452
flat angles P-C4'-P energy: -87.149
tors. eta vs tors. theta energy: -189.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1841.022543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.022543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.022543 (E_RNA)
where:
Base-Base interactions energy: -1283.098
where: short stacking energy: -519.147
Base-Backbone interact. energy: -2.344
local terms energy: -555.580733
where:
bonds (distance) C4'-P energy: -125.757
bonds (distance) P-C4' energy: -116.974
flat angles C4'-P-C4' energy: -126.524
flat angles P-C4'-P energy: -74.478
tors. eta vs tors. theta energy: -111.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1555.042824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.042824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.042824 (E_RNA)
where:
Base-Base interactions energy: -1083.248
where: short stacking energy: -469.529
Base-Backbone interact. energy: -1.932
local terms energy: -469.862734
where:
bonds (distance) C4'-P energy: -102.035
bonds (distance) P-C4' energy: -111.879
flat angles C4'-P-C4' energy: -91.910
flat angles P-C4'-P energy: -73.910
tors. eta vs tors. theta energy: -90.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1277.599003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.599003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.599003 (E_RNA)
where:
Base-Base interactions energy: -846.031
where: short stacking energy: -357.847
Base-Backbone interact. energy: 2.094
local terms energy: -433.662158
where:
bonds (distance) C4'-P energy: -98.813
bonds (distance) P-C4' energy: -112.113
flat angles C4'-P-C4' energy: -111.861
flat angles P-C4'-P energy: -55.409
tors. eta vs tors. theta energy: -55.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -1028.496658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.496658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.496658 (E_RNA)
where:
Base-Base interactions energy: -606.095
where: short stacking energy: -319.183
Base-Backbone interact. energy: 2.473
local terms energy: -424.874044
where:
bonds (distance) C4'-P energy: -111.261
bonds (distance) P-C4' energy: -109.067
flat angles C4'-P-C4' energy: -100.840
flat angles P-C4'-P energy: -66.104
tors. eta vs tors. theta energy: -37.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2563.584875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2563.584875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2563.584875 (E_RNA)
where:
Base-Base interactions energy: -1815.599
where: short stacking energy: -764.775
Base-Backbone interact. energy: 2.193
local terms energy: -750.179173
where:
bonds (distance) C4'-P energy: -130.542
bonds (distance) P-C4' energy: -133.447
flat angles C4'-P-C4' energy: -166.744
flat angles P-C4'-P energy: -116.008
tors. eta vs tors. theta energy: -203.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2534.444484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.444484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.444484 (E_RNA)
where:
Base-Base interactions energy: -1810.010
where: short stacking energy: -745.318
Base-Backbone interact. energy: 2.258
local terms energy: -726.692197
where:
bonds (distance) C4'-P energy: -134.599
bonds (distance) P-C4' energy: -128.809
flat angles C4'-P-C4' energy: -160.975
flat angles P-C4'-P energy: -103.602
tors. eta vs tors. theta energy: -198.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2449.226472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.226472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.226472 (E_RNA)
where:
Base-Base interactions energy: -1744.954
where: short stacking energy: -719.578
Base-Backbone interact. energy: 0.738
local terms energy: -705.010494
where:
bonds (distance) C4'-P energy: -132.145
bonds (distance) P-C4' energy: -135.193
flat angles C4'-P-C4' energy: -137.584
flat angles P-C4'-P energy: -96.745
tors. eta vs tors. theta energy: -203.342
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: 4, replica: 2
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2383.567043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2383.567043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2383.567043 (E_RNA)
where:
Base-Base interactions energy: -1691.180
where: short stacking energy: -707.437
Base-Backbone interact. energy: -0.954
local terms energy: -691.433161
where:
bonds (distance) C4'-P energy: -120.746
bonds (distance) P-C4' energy: -122.418
flat angles C4'-P-C4' energy: -152.978
flat angles P-C4'-P energy: -101.602
tors. eta vs tors. theta energy: -193.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2216.462580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.462580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.462580 (E_RNA)
where:
Base-Base interactions energy: -1583.190
where: short stacking energy: -674.815
Base-Backbone interact. energy: -2.408
local terms energy: -630.864356
where:
bonds (distance) C4'-P energy: -133.703
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -133.157
flat angles P-C4'-P energy: -76.300
tors. eta vs tors. theta energy: -179.507
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: 383
Temperature: 1.150000
Total energy: -2146.112798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2146.112798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2146.112798 (E_RNA)
where:
Base-Base interactions energy: -1497.884
where: short stacking energy: -634.998
Base-Backbone interact. energy: -1.531
local terms energy: -646.697980
where:
bonds (distance) C4'-P energy: -122.711
bonds (distance) P-C4' energy: -122.454
flat angles C4'-P-C4' energy: -144.214
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -177.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1831.950788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.950788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.950788 (E_RNA)
where:
Base-Base interactions energy: -1233.146
where: short stacking energy: -518.946
Base-Backbone interact. energy: -3.178
local terms energy: -595.626869
where:
bonds (distance) C4'-P energy: -137.899
bonds (distance) P-C4' energy: -128.351
flat angles C4'-P-C4' energy: -117.660
flat angles P-C4'-P energy: -81.972
tors. eta vs tors. theta energy: -129.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1531.097135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.097135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.097135 (E_RNA)
where:
Base-Base interactions energy: -1042.616
where: short stacking energy: -415.797
Base-Backbone interact. energy: -0.383
local terms energy: -488.098930
where:
bonds (distance) C4'-P energy: -95.456
bonds (distance) P-C4' energy: -118.907
flat angles C4'-P-C4' energy: -119.602
flat angles P-C4'-P energy: -85.418
tors. eta vs tors. theta energy: -68.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1364.002371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.002371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.002371 (E_RNA)
where:
Base-Base interactions energy: -925.321
where: short stacking energy: -391.389
Base-Backbone interact. energy: 9.598
local terms energy: -448.279910
where:
bonds (distance) C4'-P energy: -118.722
bonds (distance) P-C4' energy: -104.784
flat angles C4'-P-C4' energy: -93.537
flat angles P-C4'-P energy: -65.086
tors. eta vs tors. theta energy: -66.150
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: 8
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -1003.453718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.453718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.453718 (E_RNA)
where:
Base-Base interactions energy: -595.488
where: short stacking energy: -297.155
Base-Backbone interact. energy: 7.086
local terms energy: -415.051164
where:
bonds (distance) C4'-P energy: -117.611
bonds (distance) P-C4' energy: -111.406
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -57.438
tors. eta vs tors. theta energy: -28.264
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2603.304860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.304860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.304860 (E_RNA)
where:
Base-Base interactions energy: -1829.789
where: short stacking energy: -771.853
Base-Backbone interact. energy: -1.777
local terms energy: -771.738328
where:
bonds (distance) C4'-P energy: -143.637
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -170.402
flat angles P-C4'-P energy: -106.115
tors. eta vs tors. theta energy: -207.157
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: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2534.125725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.125725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.125725 (E_RNA)
where:
Base-Base interactions energy: -1797.018
where: short stacking energy: -766.538
Base-Backbone interact. energy: -2.452
local terms energy: -734.655072
where:
bonds (distance) C4'-P energy: -125.853
bonds (distance) P-C4' energy: -139.244
flat angles C4'-P-C4' energy: -153.713
flat angles P-C4'-P energy: -98.753
tors. eta vs tors. theta energy: -217.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2412.503161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.503161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.503161 (E_RNA)
where:
Base-Base interactions energy: -1707.060
where: short stacking energy: -707.808
Base-Backbone interact. energy: -3.207
local terms energy: -702.236311
where:
bonds (distance) C4'-P energy: -122.702
bonds (distance) P-C4' energy: -132.298
flat angles C4'-P-C4' energy: -156.907
flat angles P-C4'-P energy: -97.410
tors. eta vs tors. theta energy: -192.919
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: 4, replica: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -2375.390850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.390850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.390850 (E_RNA)
where:
Base-Base interactions energy: -1672.512
where: short stacking energy: -703.810
Base-Backbone interact. energy: -0.952
local terms energy: -701.926671
where:
bonds (distance) C4'-P energy: -109.162
bonds (distance) P-C4' energy: -134.807
flat angles C4'-P-C4' energy: -153.668
flat angles P-C4'-P energy: -100.538
tors. eta vs tors. theta energy: -203.751
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: 5, replica: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2227.275752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.275752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.275752 (E_RNA)
where:
Base-Base interactions energy: -1576.057
where: short stacking energy: -655.528
Base-Backbone interact. energy: -1.517
local terms energy: -649.701793
where:
bonds (distance) C4'-P energy: -119.279
bonds (distance) P-C4' energy: -124.075
flat angles C4'-P-C4' energy: -140.838
flat angles P-C4'-P energy: -89.715
tors. eta vs tors. theta energy: -175.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -2121.597536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.597536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.597536 (E_RNA)
where:
Base-Base interactions energy: -1504.441
where: short stacking energy: -666.731
Base-Backbone interact. energy: 0.218
local terms energy: -617.373928
where:
bonds (distance) C4'-P energy: -105.076
bonds (distance) P-C4' energy: -102.374
flat angles C4'-P-C4' energy: -135.920
flat angles P-C4'-P energy: -90.450
tors. eta vs tors. theta energy: -183.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1870.344960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.344960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.344960 (E_RNA)
where:
Base-Base interactions energy: -1262.210
where: short stacking energy: -523.593
Base-Backbone interact. energy: -1.530
local terms energy: -606.604533
where:
bonds (distance) C4'-P energy: -115.904
bonds (distance) P-C4' energy: -119.364
flat angles C4'-P-C4' energy: -125.054
flat angles P-C4'-P energy: -101.163
tors. eta vs tors. theta energy: -145.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1531.719664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.719664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.719664 (E_RNA)
where:
Base-Base interactions energy: -1050.344
where: short stacking energy: -441.813
Base-Backbone interact. energy: -2.255
local terms energy: -479.120615
where:
bonds (distance) C4'-P energy: -98.316
bonds (distance) P-C4' energy: -115.216
flat angles C4'-P-C4' energy: -114.841
flat angles P-C4'-P energy: -64.492
tors. eta vs tors. theta energy: -86.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1367.672478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.672478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.672478 (E_RNA)
where:
Base-Base interactions energy: -877.442
where: short stacking energy: -398.563
Base-Backbone interact. energy: -0.030
local terms energy: -490.200200
where:
bonds (distance) C4'-P energy: -100.498
bonds (distance) P-C4' energy: -115.077
flat angles C4'-P-C4' energy: -124.745
flat angles P-C4'-P energy: -76.629
tors. eta vs tors. theta energy: -73.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -930.865695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.865695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.865695 (E_RNA)
where:
Base-Base interactions energy: -548.191
where: short stacking energy: -295.507
Base-Backbone interact. energy: -1.063
local terms energy: -381.611792
where:
bonds (distance) C4'-P energy: -112.322
bonds (distance) P-C4' energy: -106.770
flat angles C4'-P-C4' energy: -92.302
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2590.617171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.617171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.617171 (E_RNA)
where:
Base-Base interactions energy: -1845.080
where: short stacking energy: -739.917
Base-Backbone interact. energy: -0.797
local terms energy: -744.739645
where:
bonds (distance) C4'-P energy: -134.546
bonds (distance) P-C4' energy: -152.466
flat angles C4'-P-C4' energy: -147.660
flat angles P-C4'-P energy: -108.432
tors. eta vs tors. theta energy: -201.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2540.549829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.549829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.549829 (E_RNA)
where:
Base-Base interactions energy: -1797.997
where: short stacking energy: -748.642
Base-Backbone interact. energy: -0.116
local terms energy: -742.437191
where:
bonds (distance) C4'-P energy: -118.341
bonds (distance) P-C4' energy: -133.405
flat angles C4'-P-C4' energy: -157.959
flat angles P-C4'-P energy: -117.390
tors. eta vs tors. theta energy: -215.343
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: 3, replica: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2438.350935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.350935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.350935 (E_RNA)
where:
Base-Base interactions energy: -1762.430
where: short stacking energy: -723.207
Base-Backbone interact. energy: -1.286
local terms energy: -674.635619
where:
bonds (distance) C4'-P energy: -126.942
bonds (distance) P-C4' energy: -117.911
flat angles C4'-P-C4' energy: -144.236
flat angles P-C4'-P energy: -93.883
tors. eta vs tors. theta energy: -191.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2344.168466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.168466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.168466 (E_RNA)
where:
Base-Base interactions energy: -1624.529
where: short stacking energy: -684.663
Base-Backbone interact. energy: -3.697
local terms energy: -715.942699
where:
bonds (distance) C4'-P energy: -126.127
bonds (distance) P-C4' energy: -139.357
flat angles C4'-P-C4' energy: -147.553
flat angles P-C4'-P energy: -97.883
tors. eta vs tors. theta energy: -205.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2223.344092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.344092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.344092 (E_RNA)
where:
Base-Base interactions energy: -1567.486
where: short stacking energy: -652.678
Base-Backbone interact. energy: -2.782
local terms energy: -653.075806
where:
bonds (distance) C4'-P energy: -102.424
bonds (distance) P-C4' energy: -132.861
flat angles C4'-P-C4' energy: -144.040
flat angles P-C4'-P energy: -82.991
tors. eta vs tors. theta energy: -190.761
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: 385
Temperature: 1.150000
Total energy: -2124.798688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.798688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.798688 (E_RNA)
where:
Base-Base interactions energy: -1470.417
where: short stacking energy: -616.265
Base-Backbone interact. energy: -1.133
local terms energy: -653.248697
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -151.686
flat angles C4'-P-C4' energy: -134.836
flat angles P-C4'-P energy: -87.322
tors. eta vs tors. theta energy: -172.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1885.954544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.954544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.954544 (E_RNA)
where:
Base-Base interactions energy: -1292.940
where: short stacking energy: -556.511
Base-Backbone interact. energy: -0.703
local terms energy: -592.311609
where:
bonds (distance) C4'-P energy: -118.683
bonds (distance) P-C4' energy: -108.243
flat angles C4'-P-C4' energy: -136.078
flat angles P-C4'-P energy: -83.398
tors. eta vs tors. theta energy: -145.909
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: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1590.006746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.006746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.006746 (E_RNA)
where:
Base-Base interactions energy: -1079.941
where: short stacking energy: -478.633
Base-Backbone interact. energy: -0.535
local terms energy: -509.530857
where:
bonds (distance) C4'-P energy: -105.526
bonds (distance) P-C4' energy: -105.000
flat angles C4'-P-C4' energy: -124.814
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -92.716
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: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1413.642115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.642115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.642115 (E_RNA)
where:
Base-Base interactions energy: -923.286
where: short stacking energy: -414.260
Base-Backbone interact. energy: -3.866
local terms energy: -486.489879
where:
bonds (distance) C4'-P energy: -118.001
bonds (distance) P-C4' energy: -124.477
flat angles C4'-P-C4' energy: -97.825
flat angles P-C4'-P energy: -74.583
tors. eta vs tors. theta energy: -71.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -932.426758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.426758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.426758 (E_RNA)
where:
Base-Base interactions energy: -519.830
where: short stacking energy: -299.693
Base-Backbone interact. energy: 0.194
local terms energy: -412.790062
where:
bonds (distance) C4'-P energy: -112.844
bonds (distance) P-C4' energy: -96.328
flat angles C4'-P-C4' energy: -103.071
flat angles P-C4'-P energy: -65.628
tors. eta vs tors. theta energy: -34.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2594.383796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.383796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.383796 (E_RNA)
where:
Base-Base interactions energy: -1831.569
where: short stacking energy: -755.591
Base-Backbone interact. energy: 2.344
local terms energy: -765.158518
where:
bonds (distance) C4'-P energy: -142.028
bonds (distance) P-C4' energy: -145.251
flat angles C4'-P-C4' energy: -155.246
flat angles P-C4'-P energy: -112.616
tors. eta vs tors. theta energy: -210.018
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: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2547.712935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.712935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.712935 (E_RNA)
where:
Base-Base interactions energy: -1789.030
where: short stacking energy: -740.383
Base-Backbone interact. energy: 0.990
local terms energy: -759.672761
where:
bonds (distance) C4'-P energy: -125.371
bonds (distance) P-C4' energy: -153.480
flat angles C4'-P-C4' energy: -157.594
flat angles P-C4'-P energy: -113.914
tors. eta vs tors. theta energy: -209.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2470.733994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.733994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.733994 (E_RNA)
where:
Base-Base interactions energy: -1747.088
where: short stacking energy: -751.420
Base-Backbone interact. energy: -2.392
local terms energy: -721.254148
where:
bonds (distance) C4'-P energy: -137.431
bonds (distance) P-C4' energy: -126.602
flat angles C4'-P-C4' energy: -153.468
flat angles P-C4'-P energy: -88.460
tors. eta vs tors. theta energy: -215.293
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: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2395.534706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.534706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.534706 (E_RNA)
where:
Base-Base interactions energy: -1718.407
where: short stacking energy: -717.265
Base-Backbone interact. energy: 3.165
local terms energy: -680.292270
where:
bonds (distance) C4'-P energy: -106.025
bonds (distance) P-C4' energy: -134.749
flat angles C4'-P-C4' energy: -148.579
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -202.563
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: 6
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2244.767492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.767492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.767492 (E_RNA)
where:
Base-Base interactions energy: -1577.052
where: short stacking energy: -668.406
Base-Backbone interact. energy: -3.486
local terms energy: -664.229336
where:
bonds (distance) C4'-P energy: -136.612
bonds (distance) P-C4' energy: -120.618
flat angles C4'-P-C4' energy: -136.475
flat angles P-C4'-P energy: -87.297
tors. eta vs tors. theta energy: -183.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -2079.718536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.718536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.718536 (E_RNA)
where:
Base-Base interactions energy: -1453.890
where: short stacking energy: -628.427
Base-Backbone interact. energy: -3.384
local terms energy: -622.444709
where:
bonds (distance) C4'-P energy: -98.635
bonds (distance) P-C4' energy: -118.043
flat angles C4'-P-C4' energy: -141.268
flat angles P-C4'-P energy: -86.998
tors. eta vs tors. theta energy: -177.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1859.107846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.107846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.107846 (E_RNA)
where:
Base-Base interactions energy: -1302.612
where: short stacking energy: -549.768
Base-Backbone interact. energy: -2.106
local terms energy: -554.390059
where:
bonds (distance) C4'-P energy: -103.546
bonds (distance) P-C4' energy: -111.330
flat angles C4'-P-C4' energy: -135.072
flat angles P-C4'-P energy: -79.814
tors. eta vs tors. theta energy: -124.628
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: 386
Temperature: 1.250000
Total energy: -1642.714391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.714391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.714391 (E_RNA)
where:
Base-Base interactions energy: -1107.653
where: short stacking energy: -486.597
Base-Backbone interact. energy: -1.844
local terms energy: -533.217405
where:
bonds (distance) C4'-P energy: -99.726
bonds (distance) P-C4' energy: -106.286
flat angles C4'-P-C4' energy: -120.915
flat angles P-C4'-P energy: -86.926
tors. eta vs tors. theta energy: -119.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1394.374076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.374076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.374076 (E_RNA)
where:
Base-Base interactions energy: -920.521
where: short stacking energy: -397.760
Base-Backbone interact. energy: 4.585
local terms energy: -478.437931
where:
bonds (distance) C4'-P energy: -114.877
bonds (distance) P-C4' energy: -121.799
flat angles C4'-P-C4' energy: -126.785
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -67.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -937.906816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.906816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.906816 (E_RNA)
where:
Base-Base interactions energy: -539.324
where: short stacking energy: -288.724
Base-Backbone interact. energy: 0.229
local terms energy: -398.812207
where:
bonds (distance) C4'-P energy: -104.329
bonds (distance) P-C4' energy: -100.570
flat angles C4'-P-C4' energy: -100.867
flat angles P-C4'-P energy: -51.247
tors. eta vs tors. theta energy: -41.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2590.945964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.945964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.945964 (E_RNA)
where:
Base-Base interactions energy: -1833.304
where: short stacking energy: -749.422
Base-Backbone interact. energy: -3.453
local terms energy: -754.188535
where:
bonds (distance) C4'-P energy: -132.989
bonds (distance) P-C4' energy: -148.704
flat angles C4'-P-C4' energy: -161.818
flat angles P-C4'-P energy: -112.942
tors. eta vs tors. theta energy: -197.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2537.573576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.573576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.573576 (E_RNA)
where:
Base-Base interactions energy: -1781.967
where: short stacking energy: -745.632
Base-Backbone interact. energy: -2.207
local terms energy: -753.399860
where:
bonds (distance) C4'-P energy: -140.813
bonds (distance) P-C4' energy: -136.757
flat angles C4'-P-C4' energy: -165.309
flat angles P-C4'-P energy: -94.472
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: 3, replica: 2
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2441.895930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.895930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.895930 (E_RNA)
where:
Base-Base interactions energy: -1713.497
where: short stacking energy: -742.110
Base-Backbone interact. energy: -3.644
local terms energy: -724.754885
where:
bonds (distance) C4'-P energy: -125.291
bonds (distance) P-C4' energy: -141.888
flat angles C4'-P-C4' energy: -155.281
flat angles P-C4'-P energy: -88.885
tors. eta vs tors. theta energy: -213.410
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: 387
Temperature: 1.050000
Total energy: -2382.080151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.080151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.080151 (E_RNA)
where:
Base-Base interactions energy: -1691.536
where: short stacking energy: -689.655
Base-Backbone interact. energy: 3.484
local terms energy: -694.027805
where:
bonds (distance) C4'-P energy: -142.385
bonds (distance) P-C4' energy: -143.439
flat angles C4'-P-C4' energy: -145.020
flat angles P-C4'-P energy: -71.626
tors. eta vs tors. theta energy: -191.558
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: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2184.769248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.769248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.769248 (E_RNA)
where:
Base-Base interactions energy: -1521.070
where: short stacking energy: -645.286
Base-Backbone interact. energy: -3.957
local terms energy: -659.742062
where:
bonds (distance) C4'-P energy: -124.152
bonds (distance) P-C4' energy: -126.483
flat angles C4'-P-C4' energy: -143.478
flat angles P-C4'-P energy: -96.277
tors. eta vs tors. theta energy: -169.352
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: 387
Temperature: 1.150000
Total energy: -2134.714284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.714284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.714284 (E_RNA)
where:
Base-Base interactions energy: -1481.261
where: short stacking energy: -655.737
Base-Backbone interact. energy: 0.026
local terms energy: -653.478997
where:
bonds (distance) C4'-P energy: -111.873
bonds (distance) P-C4' energy: -119.540
flat angles C4'-P-C4' energy: -142.316
flat angles P-C4'-P energy: -90.471
tors. eta vs tors. theta energy: -189.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1877.536797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.536797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.536797 (E_RNA)
where:
Base-Base interactions energy: -1293.739
where: short stacking energy: -557.762
Base-Backbone interact. energy: -2.117
local terms energy: -581.680029
where:
bonds (distance) C4'-P energy: -113.234
bonds (distance) P-C4' energy: -123.111
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -75.660
tors. eta vs tors. theta energy: -148.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1631.822885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.822885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.822885 (E_RNA)
where:
Base-Base interactions energy: -1087.568
where: short stacking energy: -489.534
Base-Backbone interact. energy: 2.262
local terms energy: -546.516979
where:
bonds (distance) C4'-P energy: -125.794
bonds (distance) P-C4' energy: -129.485
flat angles C4'-P-C4' energy: -123.187
flat angles P-C4'-P energy: -73.617
tors. eta vs tors. theta energy: -94.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1349.513049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.513049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.513049 (E_RNA)
where:
Base-Base interactions energy: -878.045
where: short stacking energy: -380.055
Base-Backbone interact. energy: -4.453
local terms energy: -467.014860
where:
bonds (distance) C4'-P energy: -115.538
bonds (distance) P-C4' energy: -104.086
flat angles C4'-P-C4' energy: -114.047
flat angles P-C4'-P energy: -77.631
tors. eta vs tors. theta energy: -55.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -861.342196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.342196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.342196 (E_RNA)
where:
Base-Base interactions energy: -473.067
where: short stacking energy: -265.069
Base-Backbone interact. energy: 2.670
local terms energy: -390.944715
where:
bonds (distance) C4'-P energy: -111.911
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -92.837
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -11.072
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: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2582.930716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.930716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.930716 (E_RNA)
where:
Base-Base interactions energy: -1847.013
where: short stacking energy: -760.419
Base-Backbone interact. energy: -0.368
local terms energy: -735.549786
where:
bonds (distance) C4'-P energy: -120.163
bonds (distance) P-C4' energy: -140.861
flat angles C4'-P-C4' energy: -168.242
flat angles P-C4'-P energy: -101.871
tors. eta vs tors. theta energy: -204.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2501.286944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.286944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.286944 (E_RNA)
where:
Base-Base interactions energy: -1785.235
where: short stacking energy: -745.538
Base-Backbone interact. energy: -2.504
local terms energy: -713.547433
where:
bonds (distance) C4'-P energy: -108.694
bonds (distance) P-C4' energy: -144.334
flat angles C4'-P-C4' energy: -151.594
flat angles P-C4'-P energy: -91.638
tors. eta vs tors. theta energy: -217.287
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2442.065342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.065342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.065342 (E_RNA)
where:
Base-Base interactions energy: -1699.543
where: short stacking energy: -701.658
Base-Backbone interact. energy: -3.986
local terms energy: -738.536373
where:
bonds (distance) C4'-P energy: -143.157
bonds (distance) P-C4' energy: -138.472
flat angles C4'-P-C4' energy: -150.578
flat angles P-C4'-P energy: -109.681
tors. eta vs tors. theta energy: -196.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2386.865849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.865849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.865849 (E_RNA)
where:
Base-Base interactions energy: -1671.592
where: short stacking energy: -689.789
Base-Backbone interact. energy: -3.094
local terms energy: -712.180322
where:
bonds (distance) C4'-P energy: -129.745
bonds (distance) P-C4' energy: -141.125
flat angles C4'-P-C4' energy: -143.003
flat angles P-C4'-P energy: -96.652
tors. eta vs tors. theta energy: -201.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2186.259187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.259187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.259187 (E_RNA)
where:
Base-Base interactions energy: -1512.491
where: short stacking energy: -668.772
Base-Backbone interact. energy: -1.852
local terms energy: -671.916660
where:
bonds (distance) C4'-P energy: -124.705
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -154.041
flat angles P-C4'-P energy: -94.070
tors. eta vs tors. theta energy: -190.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -2171.163053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.163053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.163053 (E_RNA)
where:
Base-Base interactions energy: -1512.267
where: short stacking energy: -639.068
Base-Backbone interact. energy: 3.082
local terms energy: -661.977921
where:
bonds (distance) C4'-P energy: -124.773
bonds (distance) P-C4' energy: -126.849
flat angles C4'-P-C4' energy: -153.595
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -171.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1886.107883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.107883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.107883 (E_RNA)
where:
Base-Base interactions energy: -1284.544
where: short stacking energy: -539.069
Base-Backbone interact. energy: 3.888
local terms energy: -605.452355
where:
bonds (distance) C4'-P energy: -101.723
bonds (distance) P-C4' energy: -133.708
flat angles C4'-P-C4' energy: -149.336
flat angles P-C4'-P energy: -98.945
tors. eta vs tors. theta energy: -121.739
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: 388
Temperature: 1.250000
Total energy: -1672.542648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.542648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.542648 (E_RNA)
where:
Base-Base interactions energy: -1132.146
where: short stacking energy: -487.534
Base-Backbone interact. energy: 1.244
local terms energy: -541.641512
where:
bonds (distance) C4'-P energy: -117.748
bonds (distance) P-C4' energy: -129.704
flat angles C4'-P-C4' energy: -126.438
flat angles P-C4'-P energy: -73.731
tors. eta vs tors. theta energy: -94.020
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: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1313.753540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.753540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.753540 (E_RNA)
where:
Base-Base interactions energy: -849.573
where: short stacking energy: -377.990
Base-Backbone interact. energy: -0.519
local terms energy: -463.661572
where:
bonds (distance) C4'-P energy: -98.464
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -111.023
flat angles P-C4'-P energy: -57.864
tors. eta vs tors. theta energy: -66.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -897.566964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.566964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.566964 (E_RNA)
where:
Base-Base interactions energy: -542.609
where: short stacking energy: -295.195
Base-Backbone interact. energy: 0.991
local terms energy: -355.948855
where:
bonds (distance) C4'-P energy: -95.268
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -95.436
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -9.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2573.325840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.325840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.325840 (E_RNA)
where:
Base-Base interactions energy: -1835.949
where: short stacking energy: -751.633
Base-Backbone interact. energy: -3.827
local terms energy: -733.550739
where:
bonds (distance) C4'-P energy: -132.829
bonds (distance) P-C4' energy: -127.272
flat angles C4'-P-C4' energy: -165.083
flat angles P-C4'-P energy: -103.900
tors. eta vs tors. theta energy: -204.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2487.780867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.780867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.780867 (E_RNA)
where:
Base-Base interactions energy: -1764.484
where: short stacking energy: -710.640
Base-Backbone interact. energy: -1.133
local terms energy: -722.164138
where:
bonds (distance) C4'-P energy: -135.012
bonds (distance) P-C4' energy: -144.169
flat angles C4'-P-C4' energy: -152.534
flat angles P-C4'-P energy: -102.344
tors. eta vs tors. theta energy: -188.104
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: 389
Temperature: 1.000000
Total energy: -2469.956524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2469.956524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2469.956524 (E_RNA)
where:
Base-Base interactions energy: -1739.125
where: short stacking energy: -751.849
Base-Backbone interact. energy: 0.547
local terms energy: -731.379215
where:
bonds (distance) C4'-P energy: -122.528
bonds (distance) P-C4' energy: -136.420
flat angles C4'-P-C4' energy: -153.953
flat angles P-C4'-P energy: -100.886
tors. eta vs tors. theta energy: -217.592
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2361.869910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.869910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.869910 (E_RNA)
where:
Base-Base interactions energy: -1657.113
where: short stacking energy: -699.627
Base-Backbone interact. energy: -1.201
local terms energy: -703.556349
where:
bonds (distance) C4'-P energy: -136.459
bonds (distance) P-C4' energy: -135.205
flat angles C4'-P-C4' energy: -144.634
flat angles P-C4'-P energy: -91.617
tors. eta vs tors. theta energy: -195.642
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: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2218.334575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.334575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.334575 (E_RNA)
where:
Base-Base interactions energy: -1518.867
where: short stacking energy: -673.036
Base-Backbone interact. energy: 0.578
local terms energy: -700.045881
where:
bonds (distance) C4'-P energy: -118.306
bonds (distance) P-C4' energy: -123.585
flat angles C4'-P-C4' energy: -158.212
flat angles P-C4'-P energy: -103.757
tors. eta vs tors. theta energy: -196.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -2145.318672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.318672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.318672 (E_RNA)
where:
Base-Base interactions energy: -1520.397
where: short stacking energy: -638.772
Base-Backbone interact. energy: -1.508
local terms energy: -623.414241
where:
bonds (distance) C4'-P energy: -108.305
bonds (distance) P-C4' energy: -117.503
flat angles C4'-P-C4' energy: -138.219
flat angles P-C4'-P energy: -89.398
tors. eta vs tors. theta energy: -169.988
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: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1813.635050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.635050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.635050 (E_RNA)
where:
Base-Base interactions energy: -1273.576
where: short stacking energy: -538.361
Base-Backbone interact. energy: 4.818
local terms energy: -544.877312
where:
bonds (distance) C4'-P energy: -115.433
bonds (distance) P-C4' energy: -125.700
flat angles C4'-P-C4' energy: -113.801
flat angles P-C4'-P energy: -74.188
tors. eta vs tors. theta energy: -115.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1599.131908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.131908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.131908 (E_RNA)
where:
Base-Base interactions energy: -1079.538
where: short stacking energy: -459.654
Base-Backbone interact. energy: 1.256
local terms energy: -520.849819
where:
bonds (distance) C4'-P energy: -126.315
bonds (distance) P-C4' energy: -114.681
flat angles C4'-P-C4' energy: -118.018
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -99.001
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: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1266.428540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.428540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.428540 (E_RNA)
where:
Base-Base interactions energy: -847.360
where: short stacking energy: -351.533
Base-Backbone interact. energy: 5.012
local terms energy: -424.079956
where:
bonds (distance) C4'-P energy: -97.077
bonds (distance) P-C4' energy: -114.268
flat angles C4'-P-C4' energy: -109.440
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -47.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -903.298800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.298800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.298800 (E_RNA)
where:
Base-Base interactions energy: -502.404
where: short stacking energy: -255.439
Base-Backbone interact. energy: 5.579
local terms energy: -406.473915
where:
bonds (distance) C4'-P energy: -103.340
bonds (distance) P-C4' energy: -124.249
flat angles C4'-P-C4' energy: -88.050
flat angles P-C4'-P energy: -66.773
tors. eta vs tors. theta energy: -24.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2608.229532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.229532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.229532 (E_RNA)
where:
Base-Base interactions energy: -1840.601
where: short stacking energy: -743.903
Base-Backbone interact. energy: -5.236
local terms energy: -762.392498
where:
bonds (distance) C4'-P energy: -137.921
bonds (distance) P-C4' energy: -142.148
flat angles C4'-P-C4' energy: -168.362
flat angles P-C4'-P energy: -110.114
tors. eta vs tors. theta energy: -203.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2515.175727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.175727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.175727 (E_RNA)
where:
Base-Base interactions energy: -1816.007
where: short stacking energy: -748.256
Base-Backbone interact. energy: -2.613
local terms energy: -696.555306
where:
bonds (distance) C4'-P energy: -107.393
bonds (distance) P-C4' energy: -138.578
flat angles C4'-P-C4' energy: -149.632
flat angles P-C4'-P energy: -104.172
tors. eta vs tors. theta energy: -196.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2465.952478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.952478 (E_RNA)
where:
Base-Base interactions energy: -1740.006
where: short stacking energy: -749.986
Base-Backbone interact. energy: -2.588
local terms energy: -723.358944
where:
bonds (distance) C4'-P energy: -141.779
bonds (distance) P-C4' energy: -110.154
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -108.079
tors. eta vs tors. theta energy: -213.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2386.536064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.536064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.536064 (E_RNA)
where:
Base-Base interactions energy: -1679.438
where: short stacking energy: -680.882
Base-Backbone interact. energy: -5.342
local terms energy: -701.756277
where:
bonds (distance) C4'-P energy: -125.394
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -153.982
flat angles P-C4'-P energy: -104.718
tors. eta vs tors. theta energy: -190.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2217.976349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.976349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.976349 (E_RNA)
where:
Base-Base interactions energy: -1553.243
where: short stacking energy: -666.968
Base-Backbone interact. energy: -1.154
local terms energy: -663.579515
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -125.501
flat angles C4'-P-C4' energy: -154.599
flat angles P-C4'-P energy: -84.146
tors. eta vs tors. theta energy: -200.328
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: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -2137.765025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.765025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.765025 (E_RNA)
where:
Base-Base interactions energy: -1502.046
where: short stacking energy: -614.856
Base-Backbone interact. energy: -0.833
local terms energy: -634.885616
where:
bonds (distance) C4'-P energy: -121.517
bonds (distance) P-C4' energy: -122.156
flat angles C4'-P-C4' energy: -133.910
flat angles P-C4'-P energy: -88.706
tors. eta vs tors. theta energy: -168.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1864.785487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.785487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.785487 (E_RNA)
where:
Base-Base interactions energy: -1272.019
where: short stacking energy: -532.208
Base-Backbone interact. energy: -4.412
local terms energy: -588.353665
where:
bonds (distance) C4'-P energy: -103.743
bonds (distance) P-C4' energy: -128.628
flat angles C4'-P-C4' energy: -140.781
flat angles P-C4'-P energy: -76.156
tors. eta vs tors. theta energy: -139.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1585.044493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.044493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.044493 (E_RNA)
where:
Base-Base interactions energy: -1055.724
where: short stacking energy: -456.516
Base-Backbone interact. energy: -4.363
local terms energy: -524.957783
where:
bonds (distance) C4'-P energy: -105.850
bonds (distance) P-C4' energy: -118.203
flat angles C4'-P-C4' energy: -131.018
flat angles P-C4'-P energy: -81.045
tors. eta vs tors. theta energy: -88.842
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: 9, replica: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1388.812843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.812843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.812843 (E_RNA)
where:
Base-Base interactions energy: -889.974
where: short stacking energy: -381.925
Base-Backbone interact. energy: 5.209
local terms energy: -504.048225
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -118.648
flat angles C4'-P-C4' energy: -121.047
flat angles P-C4'-P energy: -64.147
tors. eta vs tors. theta energy: -74.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -900.186520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.186520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.186520 (E_RNA)
where:
Base-Base interactions energy: -478.780
where: short stacking energy: -220.711
Base-Backbone interact. energy: 2.213
local terms energy: -423.620265
where:
bonds (distance) C4'-P energy: -94.716
bonds (distance) P-C4' energy: -117.878
flat angles C4'-P-C4' energy: -116.715
flat angles P-C4'-P energy: -82.058
tors. eta vs tors. theta energy: -12.253
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: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2591.363812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.363812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.363812 (E_RNA)
where:
Base-Base interactions energy: -1827.247
where: short stacking energy: -763.472
Base-Backbone interact. energy: -6.001
local terms energy: -758.116599
where:
bonds (distance) C4'-P energy: -126.413
bonds (distance) P-C4' energy: -146.411
flat angles C4'-P-C4' energy: -163.901
flat angles P-C4'-P energy: -114.101
tors. eta vs tors. theta energy: -207.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2492.592960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.592960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.592960 (E_RNA)
where:
Base-Base interactions energy: -1793.795
where: short stacking energy: -717.199
Base-Backbone interact. energy: -1.138
local terms energy: -697.660185
where:
bonds (distance) C4'-P energy: -125.374
bonds (distance) P-C4' energy: -143.781
flat angles C4'-P-C4' energy: -135.484
flat angles P-C4'-P energy: -99.996
tors. eta vs tors. theta energy: -193.025
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: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2466.235139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.235139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.235139 (E_RNA)
where:
Base-Base interactions energy: -1726.424
where: short stacking energy: -755.051
Base-Backbone interact. energy: 0.416
local terms energy: -740.226950
where:
bonds (distance) C4'-P energy: -132.943
bonds (distance) P-C4' energy: -146.190
flat angles C4'-P-C4' energy: -146.911
flat angles P-C4'-P energy: -99.892
tors. eta vs tors. theta energy: -214.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2368.298841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.298841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.298841 (E_RNA)
where:
Base-Base interactions energy: -1676.695
where: short stacking energy: -721.674
Base-Backbone interact. energy: -3.309
local terms energy: -688.294546
where:
bonds (distance) C4'-P energy: -117.675
bonds (distance) P-C4' energy: -132.636
flat angles C4'-P-C4' energy: -133.879
flat angles P-C4'-P energy: -103.106
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: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2199.699234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.699234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.699234 (E_RNA)
where:
Base-Base interactions energy: -1531.166
where: short stacking energy: -662.161
Base-Backbone interact. energy: -3.200
local terms energy: -665.333792
where:
bonds (distance) C4'-P energy: -112.502
bonds (distance) P-C4' energy: -115.998
flat angles C4'-P-C4' energy: -148.041
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -192.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -2137.557809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.557809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.557809 (E_RNA)
where:
Base-Base interactions energy: -1506.735
where: short stacking energy: -632.618
Base-Backbone interact. energy: -1.337
local terms energy: -629.485658
where:
bonds (distance) C4'-P energy: -107.135
bonds (distance) P-C4' energy: -122.995
flat angles C4'-P-C4' energy: -136.911
flat angles P-C4'-P energy: -84.327
tors. eta vs tors. theta energy: -178.118
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: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1869.857791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.857791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.857791 (E_RNA)
where:
Base-Base interactions energy: -1307.120
where: short stacking energy: -544.163
Base-Backbone interact. energy: -0.369
local terms energy: -562.368518
where:
bonds (distance) C4'-P energy: -104.200
bonds (distance) P-C4' energy: -123.390
flat angles C4'-P-C4' energy: -130.554
flat angles P-C4'-P energy: -67.643
tors. eta vs tors. theta energy: -136.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1598.876688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.876688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.876688 (E_RNA)
where:
Base-Base interactions energy: -1070.844
where: short stacking energy: -472.645
Base-Backbone interact. energy: 3.995
local terms energy: -532.027421
where:
bonds (distance) C4'-P energy: -116.807
bonds (distance) P-C4' energy: -107.246
flat angles C4'-P-C4' energy: -130.429
flat angles P-C4'-P energy: -77.144
tors. eta vs tors. theta energy: -100.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1422.864228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.864228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.864228 (E_RNA)
where:
Base-Base interactions energy: -936.165
where: short stacking energy: -401.551
Base-Backbone interact. energy: -1.047
local terms energy: -485.652211
where:
bonds (distance) C4'-P energy: -106.387
bonds (distance) P-C4' energy: -109.192
flat angles C4'-P-C4' energy: -114.272
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -75.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -957.469744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.469744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.469744 (E_RNA)
where:
Base-Base interactions energy: -549.015
where: short stacking energy: -279.211
Base-Backbone interact. energy: 0.308
local terms energy: -408.762340
where:
bonds (distance) C4'-P energy: -105.682
bonds (distance) P-C4' energy: -112.483
flat angles C4'-P-C4' energy: -96.135
flat angles P-C4'-P energy: -74.442
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2608.233664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.233664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.233664 (E_RNA)
where:
Base-Base interactions energy: -1847.818
where: short stacking energy: -761.703
Base-Backbone interact. energy: -5.311
local terms energy: -755.104877
where:
bonds (distance) C4'-P energy: -136.808
bonds (distance) P-C4' energy: -147.751
flat angles C4'-P-C4' energy: -157.253
flat angles P-C4'-P energy: -105.764
tors. eta vs tors. theta energy: -207.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2513.898097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.898097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.898097 (E_RNA)
where:
Base-Base interactions energy: -1804.810
where: short stacking energy: -756.535
Base-Backbone interact. energy: 2.273
local terms energy: -711.360577
where:
bonds (distance) C4'-P energy: -143.632
bonds (distance) P-C4' energy: -119.345
flat angles C4'-P-C4' energy: -157.487
flat angles P-C4'-P energy: -88.867
tors. eta vs tors. theta energy: -202.029
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: 392
Temperature: 1.000000
Total energy: -2441.995362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.995362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.995362 (E_RNA)
where:
Base-Base interactions energy: -1729.776
where: short stacking energy: -715.391
Base-Backbone interact. energy: -2.284
local terms energy: -709.935338
where:
bonds (distance) C4'-P energy: -132.021
bonds (distance) P-C4' energy: -127.540
flat angles C4'-P-C4' energy: -145.060
flat angles P-C4'-P energy: -90.655
tors. eta vs tors. theta energy: -214.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2455.644700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.644700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.644700 (E_RNA)
where:
Base-Base interactions energy: -1719.770
where: short stacking energy: -716.006
Base-Backbone interact. energy: -5.595
local terms energy: -730.280255
where:
bonds (distance) C4'-P energy: -133.103
bonds (distance) P-C4' energy: -140.341
flat angles C4'-P-C4' energy: -141.170
flat angles P-C4'-P energy: -100.536
tors. eta vs tors. theta energy: -215.130
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: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2219.501208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.501208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.501208 (E_RNA)
where:
Base-Base interactions energy: -1573.881
where: short stacking energy: -667.138
Base-Backbone interact. energy: -0.164
local terms energy: -645.455857
where:
bonds (distance) C4'-P energy: -107.241
bonds (distance) P-C4' energy: -122.856
flat angles C4'-P-C4' energy: -151.111
flat angles P-C4'-P energy: -81.730
tors. eta vs tors. theta energy: -182.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -2130.717621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.717621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.717621 (E_RNA)
where:
Base-Base interactions energy: -1502.576
where: short stacking energy: -620.155
Base-Backbone interact. energy: -0.742
local terms energy: -627.399709
where:
bonds (distance) C4'-P energy: -121.273
bonds (distance) P-C4' energy: -114.882
flat angles C4'-P-C4' energy: -134.024
flat angles P-C4'-P energy: -84.854
tors. eta vs tors. theta energy: -172.366
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: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1874.434161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.434161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.434161 (E_RNA)
where:
Base-Base interactions energy: -1309.558
where: short stacking energy: -560.178
Base-Backbone interact. energy: -2.602
local terms energy: -562.274848
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -110.464
flat angles C4'-P-C4' energy: -142.314
flat angles P-C4'-P energy: -65.966
tors. eta vs tors. theta energy: -138.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1573.679428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.679428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.679428 (E_RNA)
where:
Base-Base interactions energy: -1059.312
where: short stacking energy: -475.371
Base-Backbone interact. energy: -2.120
local terms energy: -512.247329
where:
bonds (distance) C4'-P energy: -115.798
bonds (distance) P-C4' energy: -112.994
flat angles C4'-P-C4' energy: -128.834
flat angles P-C4'-P energy: -67.487
tors. eta vs tors. theta energy: -87.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1370.017147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.017147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.017147 (E_RNA)
where:
Base-Base interactions energy: -882.422
where: short stacking energy: -388.426
Base-Backbone interact. energy: -0.734
local terms energy: -486.861292
where:
bonds (distance) C4'-P energy: -115.955
bonds (distance) P-C4' energy: -124.690
flat angles C4'-P-C4' energy: -99.199
flat angles P-C4'-P energy: -74.938
tors. eta vs tors. theta energy: -72.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -977.568101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.568101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.568101 (E_RNA)
where:
Base-Base interactions energy: -564.321
where: short stacking energy: -310.740
Base-Backbone interact. energy: 3.459
local terms energy: -416.706650
where:
bonds (distance) C4'-P energy: -122.981
bonds (distance) P-C4' energy: -109.735
flat angles C4'-P-C4' energy: -90.674
flat angles P-C4'-P energy: -66.281
tors. eta vs tors. theta energy: -27.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2591.713913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.713913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.713913 (E_RNA)
where:
Base-Base interactions energy: -1836.997
where: short stacking energy: -752.805
Base-Backbone interact. energy: -4.914
local terms energy: -749.803201
where:
bonds (distance) C4'-P energy: -134.182
bonds (distance) P-C4' energy: -143.817
flat angles C4'-P-C4' energy: -157.615
flat angles P-C4'-P energy: -107.659
tors. eta vs tors. theta energy: -206.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2501.322953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.322953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.322953 (E_RNA)
where:
Base-Base interactions energy: -1773.234
where: short stacking energy: -748.971
Base-Backbone interact. energy: 1.495
local terms energy: -729.584267
where:
bonds (distance) C4'-P energy: -136.367
bonds (distance) P-C4' energy: -131.194
flat angles C4'-P-C4' energy: -154.539
flat angles P-C4'-P energy: -108.982
tors. eta vs tors. theta energy: -198.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2452.922022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.922022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.922022 (E_RNA)
where:
Base-Base interactions energy: -1745.749
where: short stacking energy: -738.476
Base-Backbone interact. energy: -4.216
local terms energy: -702.956904
where:
bonds (distance) C4'-P energy: -126.485
bonds (distance) P-C4' energy: -118.662
flat angles C4'-P-C4' energy: -162.911
flat angles P-C4'-P energy: -79.597
tors. eta vs tors. theta energy: -215.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2430.454039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.454039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.454039 (E_RNA)
where:
Base-Base interactions energy: -1711.230
where: short stacking energy: -712.900
Base-Backbone interact. energy: -1.865
local terms energy: -717.359276
where:
bonds (distance) C4'-P energy: -132.133
bonds (distance) P-C4' energy: -138.221
flat angles C4'-P-C4' energy: -143.962
flat angles P-C4'-P energy: -95.075
tors. eta vs tors. theta energy: -207.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2227.832636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.832636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.832636 (E_RNA)
where:
Base-Base interactions energy: -1544.707
where: short stacking energy: -677.442
Base-Backbone interact. energy: -2.198
local terms energy: -680.927345
where:
bonds (distance) C4'-P energy: -117.090
bonds (distance) P-C4' energy: -131.241
flat angles C4'-P-C4' energy: -144.904
flat angles P-C4'-P energy: -95.223
tors. eta vs tors. theta energy: -192.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -2138.685895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.685895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.685895 (E_RNA)
where:
Base-Base interactions energy: -1500.733
where: short stacking energy: -636.395
Base-Backbone interact. energy: -3.585
local terms energy: -634.368478
where:
bonds (distance) C4'-P energy: -126.666
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -137.609
flat angles P-C4'-P energy: -83.428
tors. eta vs tors. theta energy: -172.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1830.655493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.655493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.655493 (E_RNA)
where:
Base-Base interactions energy: -1261.946
where: short stacking energy: -547.539
Base-Backbone interact. energy: -1.394
local terms energy: -567.316180
where:
bonds (distance) C4'-P energy: -108.552
bonds (distance) P-C4' energy: -112.946
flat angles C4'-P-C4' energy: -132.642
flat angles P-C4'-P energy: -85.308
tors. eta vs tors. theta energy: -127.868
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: 393
Temperature: 1.250000
Total energy: -1588.679748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.679748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.679748 (E_RNA)
where:
Base-Base interactions energy: -1098.914
where: short stacking energy: -470.826
Base-Backbone interact. energy: -1.397
local terms energy: -488.368383
where:
bonds (distance) C4'-P energy: -101.627
bonds (distance) P-C4' energy: -105.644
flat angles C4'-P-C4' energy: -123.527
flat angles P-C4'-P energy: -68.857
tors. eta vs tors. theta energy: -88.714
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: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1351.375650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.375650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.375650 (E_RNA)
where:
Base-Base interactions energy: -928.288
where: short stacking energy: -405.587
Base-Backbone interact. energy: -1.833
local terms energy: -421.254371
where:
bonds (distance) C4'-P energy: -86.606
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -110.978
flat angles P-C4'-P energy: -60.790
tors. eta vs tors. theta energy: -53.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -854.789910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.789910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.789910 (E_RNA)
where:
Base-Base interactions energy: -462.753
where: short stacking energy: -237.083
Base-Backbone interact. energy: 5.238
local terms energy: -397.275143
where:
bonds (distance) C4'-P energy: -108.163
bonds (distance) P-C4' energy: -124.841
flat angles C4'-P-C4' energy: -100.778
flat angles P-C4'-P energy: -58.516
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2570.713216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.713216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.713216 (E_RNA)
where:
Base-Base interactions energy: -1799.770
where: short stacking energy: -740.673
Base-Backbone interact. energy: -5.012
local terms energy: -765.931908
where:
bonds (distance) C4'-P energy: -128.881
bonds (distance) P-C4' energy: -157.225
flat angles C4'-P-C4' energy: -157.146
flat angles P-C4'-P energy: -121.079
tors. eta vs tors. theta energy: -201.601
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: 3
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2484.723453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2484.723453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2484.723453 (E_RNA)
where:
Base-Base interactions energy: -1765.145
where: short stacking energy: -723.659
Base-Backbone interact. energy: -4.072
local terms energy: -715.506551
where:
bonds (distance) C4'-P energy: -127.255
bonds (distance) P-C4' energy: -142.995
flat angles C4'-P-C4' energy: -159.227
flat angles P-C4'-P energy: -88.431
tors. eta vs tors. theta energy: -197.599
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: 394
Temperature: 1.000000
Total energy: -2465.485234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.485234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.485234 (E_RNA)
where:
Base-Base interactions energy: -1732.520
where: short stacking energy: -735.910
Base-Backbone interact. energy: 6.103
local terms energy: -739.068416
where:
bonds (distance) C4'-P energy: -130.428
bonds (distance) P-C4' energy: -145.495
flat angles C4'-P-C4' energy: -151.866
flat angles P-C4'-P energy: -107.710
tors. eta vs tors. theta energy: -203.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2396.471622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.471622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.471622 (E_RNA)
where:
Base-Base interactions energy: -1671.300
where: short stacking energy: -721.215
Base-Backbone interact. energy: 0.989
local terms energy: -726.160583
where:
bonds (distance) C4'-P energy: -124.973
bonds (distance) P-C4' energy: -136.573
flat angles C4'-P-C4' energy: -153.824
flat angles P-C4'-P energy: -108.542
tors. eta vs tors. theta energy: -202.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2188.331106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.331106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.331106 (E_RNA)
where:
Base-Base interactions energy: -1531.000
where: short stacking energy: -691.557
Base-Backbone interact. energy: 1.453
local terms energy: -658.784374
where:
bonds (distance) C4'-P energy: -113.490
bonds (distance) P-C4' energy: -103.921
flat angles C4'-P-C4' energy: -164.270
flat angles P-C4'-P energy: -90.625
tors. eta vs tors. theta energy: -186.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -2112.448018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.448018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.448018 (E_RNA)
where:
Base-Base interactions energy: -1483.478
where: short stacking energy: -642.240
Base-Backbone interact. energy: 0.378
local terms energy: -629.348386
where:
bonds (distance) C4'-P energy: -119.405
bonds (distance) P-C4' energy: -118.297
flat angles C4'-P-C4' energy: -124.803
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -171.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1873.730020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.730020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.730020 (E_RNA)
where:
Base-Base interactions energy: -1293.241
where: short stacking energy: -550.483
Base-Backbone interact. energy: -2.392
local terms energy: -578.096370
where:
bonds (distance) C4'-P energy: -97.287
bonds (distance) P-C4' energy: -121.698
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -100.679
tors. eta vs tors. theta energy: -136.014
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: 394
Temperature: 1.250000
Total energy: -1639.997641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.997641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.997641 (E_RNA)
where:
Base-Base interactions energy: -1121.576
where: short stacking energy: -496.969
Base-Backbone interact. energy: 1.222
local terms energy: -519.643323
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -122.871
flat angles C4'-P-C4' energy: -126.662
flat angles P-C4'-P energy: -77.126
tors. eta vs tors. theta energy: -109.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1356.924324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.924324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.924324 (E_RNA)
where:
Base-Base interactions energy: -873.770
where: short stacking energy: -378.928
Base-Backbone interact. energy: -1.415
local terms energy: -481.739369
where:
bonds (distance) C4'-P energy: -122.573
bonds (distance) P-C4' energy: -132.424
flat angles C4'-P-C4' energy: -111.639
flat angles P-C4'-P energy: -60.203
tors. eta vs tors. theta energy: -54.900
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: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -880.475761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.475761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.475761 (E_RNA)
where:
Base-Base interactions energy: -482.683
where: short stacking energy: -247.619
Base-Backbone interact. energy: -4.266
local terms energy: -393.527316
where:
bonds (distance) C4'-P energy: -120.984
bonds (distance) P-C4' energy: -113.772
flat angles C4'-P-C4' energy: -94.784
flat angles P-C4'-P energy: -68.807
tors. eta vs tors. theta energy: 4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2577.688898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.688898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.688898 (E_RNA)
where:
Base-Base interactions energy: -1836.685
where: short stacking energy: -735.602
Base-Backbone interact. energy: -5.070
local terms energy: -735.934445
where:
bonds (distance) C4'-P energy: -132.157
bonds (distance) P-C4' energy: -136.719
flat angles C4'-P-C4' energy: -159.118
flat angles P-C4'-P energy: -113.676
tors. eta vs tors. theta energy: -194.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2519.277446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.277446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.277446 (E_RNA)
where:
Base-Base interactions energy: -1748.280
where: short stacking energy: -756.889
Base-Backbone interact. energy: 2.997
local terms energy: -773.994647
where:
bonds (distance) C4'-P energy: -140.922
bonds (distance) P-C4' energy: -145.656
flat angles C4'-P-C4' energy: -169.398
flat angles P-C4'-P energy: -106.598
tors. eta vs tors. theta energy: -211.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2436.081971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.081971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.081971 (E_RNA)
where:
Base-Base interactions energy: -1752.161
where: short stacking energy: -692.111
Base-Backbone interact. energy: -4.512
local terms energy: -679.408848
where:
bonds (distance) C4'-P energy: -131.580
bonds (distance) P-C4' energy: -112.711
flat angles C4'-P-C4' energy: -153.667
flat angles P-C4'-P energy: -91.212
tors. eta vs tors. theta energy: -190.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2366.007340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.007340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.007340 (E_RNA)
where:
Base-Base interactions energy: -1674.990
where: short stacking energy: -696.265
Base-Backbone interact. energy: 2.532
local terms energy: -693.549168
where:
bonds (distance) C4'-P energy: -140.844
bonds (distance) P-C4' energy: -115.099
flat angles C4'-P-C4' energy: -137.832
flat angles P-C4'-P energy: -93.063
tors. eta vs tors. theta energy: -206.710
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: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2191.245437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.245437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.245437 (E_RNA)
where:
Base-Base interactions energy: -1547.328
where: short stacking energy: -666.117
Base-Backbone interact. energy: -3.328
local terms energy: -640.589662
where:
bonds (distance) C4'-P energy: -122.796
bonds (distance) P-C4' energy: -122.581
flat angles C4'-P-C4' energy: -138.997
flat angles P-C4'-P energy: -72.017
tors. eta vs tors. theta energy: -184.199
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: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -2149.537701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.537701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.537701 (E_RNA)
where:
Base-Base interactions energy: -1531.562
where: short stacking energy: -638.262
Base-Backbone interact. energy: -0.980
local terms energy: -616.995866
where:
bonds (distance) C4'-P energy: -111.482
bonds (distance) P-C4' energy: -122.612
flat angles C4'-P-C4' energy: -119.985
flat angles P-C4'-P energy: -84.687
tors. eta vs tors. theta energy: -178.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1875.060735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.060735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.060735 (E_RNA)
where:
Base-Base interactions energy: -1293.923
where: short stacking energy: -514.669
Base-Backbone interact. energy: -1.282
local terms energy: -579.855244
where:
bonds (distance) C4'-P energy: -109.518
bonds (distance) P-C4' energy: -121.568
flat angles C4'-P-C4' energy: -143.611
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -137.969
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: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1543.937080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.937080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.937080 (E_RNA)
where:
Base-Base interactions energy: -1031.472
where: short stacking energy: -457.061
Base-Backbone interact. energy: 3.042
local terms energy: -515.507007
where:
bonds (distance) C4'-P energy: -115.708
bonds (distance) P-C4' energy: -109.043
flat angles C4'-P-C4' energy: -119.397
flat angles P-C4'-P energy: -79.991
tors. eta vs tors. theta energy: -91.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1384.634885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.634885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.634885 (E_RNA)
where:
Base-Base interactions energy: -933.460
where: short stacking energy: -396.369
Base-Backbone interact. energy: -0.813
local terms energy: -450.361952
where:
bonds (distance) C4'-P energy: -91.838
bonds (distance) P-C4' energy: -114.619
flat angles C4'-P-C4' energy: -110.200
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: -79.652
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: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -888.692469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.692469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.692469 (E_RNA)
where:
Base-Base interactions energy: -492.919
where: short stacking energy: -265.264
Base-Backbone interact. energy: 1.416
local terms energy: -397.189398
where:
bonds (distance) C4'-P energy: -100.032
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -88.996
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -35.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2594.138954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.138954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.138954 (E_RNA)
where:
Base-Base interactions energy: -1829.084
where: short stacking energy: -737.061
Base-Backbone interact. energy: -4.776
local terms energy: -760.279096
where:
bonds (distance) C4'-P energy: -143.304
bonds (distance) P-C4' energy: -143.720
flat angles C4'-P-C4' energy: -154.728
flat angles P-C4'-P energy: -113.593
tors. eta vs tors. theta energy: -204.935
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: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2524.074496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.074496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.074496 (E_RNA)
where:
Base-Base interactions energy: -1778.957
where: short stacking energy: -742.889
Base-Backbone interact. energy: -4.393
local terms energy: -740.724769
where:
bonds (distance) C4'-P energy: -140.306
bonds (distance) P-C4' energy: -136.772
flat angles C4'-P-C4' energy: -156.667
flat angles P-C4'-P energy: -96.327
tors. eta vs tors. theta energy: -210.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2436.928780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.928780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.928780 (E_RNA)
where:
Base-Base interactions energy: -1726.462
where: short stacking energy: -706.349
Base-Backbone interact. energy: -2.649
local terms energy: -707.817653
where:
bonds (distance) C4'-P energy: -133.450
bonds (distance) P-C4' energy: -133.026
flat angles C4'-P-C4' energy: -150.385
flat angles P-C4'-P energy: -101.753
tors. eta vs tors. theta energy: -189.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2377.414980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.414980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.414980 (E_RNA)
where:
Base-Base interactions energy: -1676.237
where: short stacking energy: -709.313
Base-Backbone interact. energy: -1.604
local terms energy: -699.573521
where:
bonds (distance) C4'-P energy: -119.885
bonds (distance) P-C4' energy: -122.508
flat angles C4'-P-C4' energy: -146.679
flat angles P-C4'-P energy: -105.743
tors. eta vs tors. theta energy: -204.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2208.216210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.216210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.216210 (E_RNA)
where:
Base-Base interactions energy: -1554.008
where: short stacking energy: -683.577
Base-Backbone interact. energy: -1.528
local terms energy: -652.679432
where:
bonds (distance) C4'-P energy: -124.256
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -135.012
flat angles P-C4'-P energy: -94.647
tors. eta vs tors. theta energy: -181.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -2130.932037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.932037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.932037 (E_RNA)
where:
Base-Base interactions energy: -1462.385
where: short stacking energy: -634.003
Base-Backbone interact. energy: -5.121
local terms energy: -663.426056
where:
bonds (distance) C4'-P energy: -119.371
bonds (distance) P-C4' energy: -122.189
flat angles C4'-P-C4' energy: -143.777
flat angles P-C4'-P energy: -92.819
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: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1883.996410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.996410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.996410 (E_RNA)
where:
Base-Base interactions energy: -1324.162
where: short stacking energy: -560.394
Base-Backbone interact. energy: -4.553
local terms energy: -555.281007
where:
bonds (distance) C4'-P energy: -105.958
bonds (distance) P-C4' energy: -119.564
flat angles C4'-P-C4' energy: -124.014
flat angles P-C4'-P energy: -80.505
tors. eta vs tors. theta energy: -125.240
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: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1558.218249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.218249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.218249 (E_RNA)
where:
Base-Base interactions energy: -1048.578
where: short stacking energy: -437.605
Base-Backbone interact. energy: 0.765
local terms energy: -510.404889
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -123.758
flat angles C4'-P-C4' energy: -104.454
flat angles P-C4'-P energy: -69.346
tors. eta vs tors. theta energy: -94.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1376.381388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.381388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.381388 (E_RNA)
where:
Base-Base interactions energy: -897.867
where: short stacking energy: -347.430
Base-Backbone interact. energy: -2.877
local terms energy: -475.637032
where:
bonds (distance) C4'-P energy: -109.835
bonds (distance) P-C4' energy: -129.917
flat angles C4'-P-C4' energy: -105.175
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -45.724
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: 8
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -867.040707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.040707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.040707 (E_RNA)
where:
Base-Base interactions energy: -447.162
where: short stacking energy: -270.535
Base-Backbone interact. energy: 11.754
local terms energy: -431.633114
where:
bonds (distance) C4'-P energy: -117.895
bonds (distance) P-C4' energy: -129.131
flat angles C4'-P-C4' energy: -93.190
flat angles P-C4'-P energy: -60.080
tors. eta vs tors. theta energy: -31.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2603.413472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.413472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.413472 (E_RNA)
where:
Base-Base interactions energy: -1852.835
where: short stacking energy: -767.992
Base-Backbone interact. energy: -4.545
local terms energy: -746.033786
where:
bonds (distance) C4'-P energy: -134.332
bonds (distance) P-C4' energy: -137.081
flat angles C4'-P-C4' energy: -155.680
flat angles P-C4'-P energy: -111.153
tors. eta vs tors. theta energy: -207.787
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2542.120334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.120334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.120334 (E_RNA)
where:
Base-Base interactions energy: -1794.510
where: short stacking energy: -767.690
Base-Backbone interact. energy: -4.744
local terms energy: -742.866466
where:
bonds (distance) C4'-P energy: -128.442
bonds (distance) P-C4' energy: -128.565
flat angles C4'-P-C4' energy: -156.420
flat angles P-C4'-P energy: -116.365
tors. eta vs tors. theta energy: -213.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2443.715321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.715321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.715321 (E_RNA)
where:
Base-Base interactions energy: -1731.182
where: short stacking energy: -726.371
Base-Backbone interact. energy: -3.302
local terms energy: -709.231232
where:
bonds (distance) C4'-P energy: -134.765
bonds (distance) P-C4' energy: -133.888
flat angles C4'-P-C4' energy: -149.939
flat angles P-C4'-P energy: -97.354
tors. eta vs tors. theta energy: -193.284
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: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2340.969843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.969843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.969843 (E_RNA)
where:
Base-Base interactions energy: -1653.270
where: short stacking energy: -688.067
Base-Backbone interact. energy: -1.510
local terms energy: -686.189863
where:
bonds (distance) C4'-P energy: -132.636
bonds (distance) P-C4' energy: -126.747
flat angles C4'-P-C4' energy: -144.798
flat angles P-C4'-P energy: -92.335
tors. eta vs tors. theta energy: -189.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2213.856884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.856884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.856884 (E_RNA)
where:
Base-Base interactions energy: -1552.779
where: short stacking energy: -637.838
Base-Backbone interact. energy: -1.323
local terms energy: -659.754718
where:
bonds (distance) C4'-P energy: -124.784
bonds (distance) P-C4' energy: -122.445
flat angles C4'-P-C4' energy: -140.335
flat angles P-C4'-P energy: -92.031
tors. eta vs tors. theta energy: -180.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -2161.903991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.903991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.903991 (E_RNA)
where:
Base-Base interactions energy: -1492.103
where: short stacking energy: -652.632
Base-Backbone interact. energy: -0.014
local terms energy: -669.787330
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -128.459
flat angles C4'-P-C4' energy: -149.961
flat angles P-C4'-P energy: -96.643
tors. eta vs tors. theta energy: -184.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1854.885363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.885363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.885363 (E_RNA)
where:
Base-Base interactions energy: -1304.935
where: short stacking energy: -542.653
Base-Backbone interact. energy: -1.903
local terms energy: -548.047533
where:
bonds (distance) C4'-P energy: -94.012
bonds (distance) P-C4' energy: -128.596
flat angles C4'-P-C4' energy: -118.598
flat angles P-C4'-P energy: -87.363
tors. eta vs tors. theta energy: -119.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1644.129651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.129651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.129651 (E_RNA)
where:
Base-Base interactions energy: -1115.357
where: short stacking energy: -500.212
Base-Backbone interact. energy: -2.660
local terms energy: -526.112696
where:
bonds (distance) C4'-P energy: -113.064
bonds (distance) P-C4' energy: -104.093
flat angles C4'-P-C4' energy: -118.064
flat angles P-C4'-P energy: -79.926
tors. eta vs tors. theta energy: -110.966
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: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1377.686716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.686716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.686716 (E_RNA)
where:
Base-Base interactions energy: -925.166
where: short stacking energy: -382.602
Base-Backbone interact. energy: -3.231
local terms energy: -449.290104
where:
bonds (distance) C4'-P energy: -111.999
bonds (distance) P-C4' energy: -119.369
flat angles C4'-P-C4' energy: -109.041
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -38.511
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: 10, replica: 8
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -845.953537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.953537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.953537 (E_RNA)
where:
Base-Base interactions energy: -440.259
where: short stacking energy: -239.410
Base-Backbone interact. energy: 1.411
local terms energy: -407.105893
where:
bonds (distance) C4'-P energy: -107.481
bonds (distance) P-C4' energy: -121.379
flat angles C4'-P-C4' energy: -107.465
flat angles P-C4'-P energy: -62.602
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2605.636112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.636112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.636112 (E_RNA)
where:
Base-Base interactions energy: -1859.289
where: short stacking energy: -756.781
Base-Backbone interact. energy: -0.842
local terms energy: -745.505764
where:
bonds (distance) C4'-P energy: -136.690
bonds (distance) P-C4' energy: -127.958
flat angles C4'-P-C4' energy: -171.704
flat angles P-C4'-P energy: -101.296
tors. eta vs tors. theta energy: -207.857
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2537.661350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.661350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.661350 (E_RNA)
where:
Base-Base interactions energy: -1761.130
where: short stacking energy: -753.163
Base-Backbone interact. energy: -0.929
local terms energy: -775.602269
where:
bonds (distance) C4'-P energy: -135.924
bonds (distance) P-C4' energy: -145.426
flat angles C4'-P-C4' energy: -164.279
flat angles P-C4'-P energy: -111.969
tors. eta vs tors. theta energy: -218.005
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: 398
Temperature: 1.000000
Total energy: -2450.967279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.967279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.967279 (E_RNA)
where:
Base-Base interactions energy: -1745.526
where: short stacking energy: -709.525
Base-Backbone interact. energy: 2.052
local terms energy: -707.492687
where:
bonds (distance) C4'-P energy: -126.715
bonds (distance) P-C4' energy: -142.715
flat angles C4'-P-C4' energy: -150.959
flat angles P-C4'-P energy: -93.662
tors. eta vs tors. theta energy: -193.442
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: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2385.998065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.998065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.998065 (E_RNA)
where:
Base-Base interactions energy: -1684.608
where: short stacking energy: -695.440
Base-Backbone interact. energy: -1.629
local terms energy: -699.760776
where:
bonds (distance) C4'-P energy: -119.312
bonds (distance) P-C4' energy: -120.446
flat angles C4'-P-C4' energy: -159.504
flat angles P-C4'-P energy: -102.549
tors. eta vs tors. theta energy: -197.949
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: 5, replica: 6
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2249.790091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.790091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.790091 (E_RNA)
where:
Base-Base interactions energy: -1574.678
where: short stacking energy: -671.256
Base-Backbone interact. energy: 1.538
local terms energy: -676.649544
where:
bonds (distance) C4'-P energy: -132.337
bonds (distance) P-C4' energy: -116.270
flat angles C4'-P-C4' energy: -149.972
flat angles P-C4'-P energy: -87.625
tors. eta vs tors. theta energy: -190.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -2172.469206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.469206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.469206 (E_RNA)
where:
Base-Base interactions energy: -1517.665
where: short stacking energy: -639.382
Base-Backbone interact. energy: -5.452
local terms energy: -649.352326
where:
bonds (distance) C4'-P energy: -102.092
bonds (distance) P-C4' energy: -134.501
flat angles C4'-P-C4' energy: -150.202
flat angles P-C4'-P energy: -85.243
tors. eta vs tors. theta energy: -177.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1854.267039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.267039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.267039 (E_RNA)
where:
Base-Base interactions energy: -1282.066
where: short stacking energy: -512.792
Base-Backbone interact. energy: -5.864
local terms energy: -566.337765
where:
bonds (distance) C4'-P energy: -122.206
bonds (distance) P-C4' energy: -118.456
flat angles C4'-P-C4' energy: -129.650
flat angles P-C4'-P energy: -76.520
tors. eta vs tors. theta energy: -119.505
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: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1583.730992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.730992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.730992 (E_RNA)
where:
Base-Base interactions energy: -1057.856
where: short stacking energy: -474.653
Base-Backbone interact. energy: -1.160
local terms energy: -524.714362
where:
bonds (distance) C4'-P energy: -98.774
bonds (distance) P-C4' energy: -117.271
flat angles C4'-P-C4' energy: -129.025
flat angles P-C4'-P energy: -59.229
tors. eta vs tors. theta energy: -120.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1363.535658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.535658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.535658 (E_RNA)
where:
Base-Base interactions energy: -913.414
where: short stacking energy: -405.907
Base-Backbone interact. energy: -2.823
local terms energy: -447.298697
where:
bonds (distance) C4'-P energy: -100.736
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -54.076
tors. eta vs tors. theta energy: -56.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -845.839874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.839874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.839874 (E_RNA)
where:
Base-Base interactions energy: -480.127
where: short stacking energy: -241.425
Base-Backbone interact. energy: 4.938
local terms energy: -370.651113
where:
bonds (distance) C4'-P energy: -110.280
bonds (distance) P-C4' energy: -99.756
flat angles C4'-P-C4' energy: -85.564
flat angles P-C4'-P energy: -66.974
tors. eta vs tors. theta energy: -8.076
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: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2609.359718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.359718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.359718 (E_RNA)
where:
Base-Base interactions energy: -1843.827
where: short stacking energy: -759.184
Base-Backbone interact. energy: -5.882
local terms energy: -759.650308
where:
bonds (distance) C4'-P energy: -139.474
bonds (distance) P-C4' energy: -149.747
flat angles C4'-P-C4' energy: -166.504
flat angles P-C4'-P energy: -98.747
tors. eta vs tors. theta energy: -205.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2532.516692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.516692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.516692 (E_RNA)
where:
Base-Base interactions energy: -1778.549
where: short stacking energy: -747.819
Base-Backbone interact. energy: -0.872
local terms energy: -753.096252
where:
bonds (distance) C4'-P energy: -127.429
bonds (distance) P-C4' energy: -136.407
flat angles C4'-P-C4' energy: -160.816
flat angles P-C4'-P energy: -109.903
tors. eta vs tors. theta energy: -218.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2476.842087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.842087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.842087 (E_RNA)
where:
Base-Base interactions energy: -1764.038
where: short stacking energy: -717.252
Base-Backbone interact. energy: -2.499
local terms energy: -710.305266
where:
bonds (distance) C4'-P energy: -123.670
bonds (distance) P-C4' energy: -128.808
flat angles C4'-P-C4' energy: -161.015
flat angles P-C4'-P energy: -99.603
tors. eta vs tors. theta energy: -197.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2402.160982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.160982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.160982 (E_RNA)
where:
Base-Base interactions energy: -1704.864
where: short stacking energy: -714.066
Base-Backbone interact. energy: -2.475
local terms energy: -694.822753
where:
bonds (distance) C4'-P energy: -125.661
bonds (distance) P-C4' energy: -131.252
flat angles C4'-P-C4' energy: -141.132
flat angles P-C4'-P energy: -91.731
tors. eta vs tors. theta energy: -205.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2232.319605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.319605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.319605 (E_RNA)
where:
Base-Base interactions energy: -1588.943
where: short stacking energy: -675.274
Base-Backbone interact. energy: -0.187
local terms energy: -643.189992
where:
bonds (distance) C4'-P energy: -116.516
bonds (distance) P-C4' energy: -119.283
flat angles C4'-P-C4' energy: -141.297
flat angles P-C4'-P energy: -92.567
tors. eta vs tors. theta energy: -173.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -2182.688143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.688143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.688143 (E_RNA)
where:
Base-Base interactions energy: -1542.826
where: short stacking energy: -642.063
Base-Backbone interact. energy: 2.743
local terms energy: -642.604872
where:
bonds (distance) C4'-P energy: -116.454
bonds (distance) P-C4' energy: -117.334
flat angles C4'-P-C4' energy: -129.348
flat angles P-C4'-P energy: -101.059
tors. eta vs tors. theta energy: -178.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1977.671506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.671506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.671506 (E_RNA)
where:
Base-Base interactions energy: -1399.277
where: short stacking energy: -572.631
Base-Backbone interact. energy: 0.268
local terms energy: -578.662923
where:
bonds (distance) C4'-P energy: -119.031
bonds (distance) P-C4' energy: -105.688
flat angles C4'-P-C4' energy: -137.851
flat angles P-C4'-P energy: -77.787
tors. eta vs tors. theta energy: -138.307
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: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1544.156542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.156542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.156542 (E_RNA)
where:
Base-Base interactions energy: -1019.632
where: short stacking energy: -444.241
Base-Backbone interact. energy: -0.480
local terms energy: -524.044689
where:
bonds (distance) C4'-P energy: -85.858
bonds (distance) P-C4' energy: -123.705
flat angles C4'-P-C4' energy: -127.498
flat angles P-C4'-P energy: -82.892
tors. eta vs tors. theta energy: -104.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1344.256352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.256352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.256352 (E_RNA)
where:
Base-Base interactions energy: -861.976
where: short stacking energy: -396.753
Base-Backbone interact. energy: -0.574
local terms energy: -481.706353
where:
bonds (distance) C4'-P energy: -120.552
bonds (distance) P-C4' energy: -123.294
flat angles C4'-P-C4' energy: -105.964
flat angles P-C4'-P energy: -64.127
tors. eta vs tors. theta energy: -67.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -821.545850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.545850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.545850 (E_RNA)
where:
Base-Base interactions energy: -442.123
where: short stacking energy: -228.785
Base-Backbone interact. energy: -0.419
local terms energy: -379.003853
where:
bonds (distance) C4'-P energy: -83.935
bonds (distance) P-C4' energy: -112.578
flat angles C4'-P-C4' energy: -108.325
flat angles P-C4'-P energy: -58.261
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2618.545750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.545750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.545750 (E_RNA)
where:
Base-Base interactions energy: -1846.011
where: short stacking energy: -761.527
Base-Backbone interact. energy: -7.095
local terms energy: -765.439436
where:
bonds (distance) C4'-P energy: -142.934
bonds (distance) P-C4' energy: -133.571
flat angles C4'-P-C4' energy: -164.972
flat angles P-C4'-P energy: -115.757
tors. eta vs tors. theta energy: -208.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2527.812561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.812561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.812561 (E_RNA)
where:
Base-Base interactions energy: -1768.412
where: short stacking energy: -740.941
Base-Backbone interact. energy: 1.561
local terms energy: -760.960650
where:
bonds (distance) C4'-P energy: -134.341
bonds (distance) P-C4' energy: -144.116
flat angles C4'-P-C4' energy: -164.137
flat angles P-C4'-P energy: -104.051
tors. eta vs tors. theta energy: -214.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2472.022501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.022501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.022501 (E_RNA)
where:
Base-Base interactions energy: -1771.583
where: short stacking energy: -717.758
Base-Backbone interact. energy: -0.916
local terms energy: -699.524002
where:
bonds (distance) C4'-P energy: -119.461
bonds (distance) P-C4' energy: -136.567
flat angles C4'-P-C4' energy: -150.485
flat angles P-C4'-P energy: -99.905
tors. eta vs tors. theta energy: -193.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2381.532728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.532728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.532728 (E_RNA)
where:
Base-Base interactions energy: -1672.696
where: short stacking energy: -720.212
Base-Backbone interact. energy: -4.026
local terms energy: -704.810970
where:
bonds (distance) C4'-P energy: -130.918
bonds (distance) P-C4' energy: -125.353
flat angles C4'-P-C4' energy: -146.997
flat angles P-C4'-P energy: -95.559
tors. eta vs tors. theta energy: -205.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2262.710711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.710711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.710711 (E_RNA)
where:
Base-Base interactions energy: -1570.631
where: short stacking energy: -687.774
Base-Backbone interact. energy: -1.416
local terms energy: -690.663509
where:
bonds (distance) C4'-P energy: -130.152
bonds (distance) P-C4' energy: -134.231
flat angles C4'-P-C4' energy: -140.578
flat angles P-C4'-P energy: -92.205
tors. eta vs tors. theta energy: -193.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -2179.303946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.303946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.303946 (E_RNA)
where:
Base-Base interactions energy: -1532.368
where: short stacking energy: -647.070
Base-Backbone interact. energy: 0.431
local terms energy: -647.366323
where:
bonds (distance) C4'-P energy: -116.526
bonds (distance) P-C4' energy: -114.791
flat angles C4'-P-C4' energy: -147.690
flat angles P-C4'-P energy: -81.462
tors. eta vs tors. theta energy: -186.896
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: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1926.726102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.726102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.726102 (E_RNA)
where:
Base-Base interactions energy: -1334.896
where: short stacking energy: -550.960
Base-Backbone interact. energy: 2.373
local terms energy: -594.202411
where:
bonds (distance) C4'-P energy: -128.192
bonds (distance) P-C4' energy: -116.128
flat angles C4'-P-C4' energy: -135.392
flat angles P-C4'-P energy: -94.583
tors. eta vs tors. theta energy: -119.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1513.687560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.687560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.687560 (E_RNA)
where:
Base-Base interactions energy: -1001.117
where: short stacking energy: -421.660
Base-Backbone interact. energy: 1.515
local terms energy: -514.085533
where:
bonds (distance) C4'-P energy: -106.002
bonds (distance) P-C4' energy: -120.115
flat angles C4'-P-C4' energy: -126.834
flat angles P-C4'-P energy: -76.292
tors. eta vs tors. theta energy: -84.842
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: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1399.254610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.254610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.254610 (E_RNA)
where:
Base-Base interactions energy: -919.109
where: short stacking energy: -409.607
Base-Backbone interact. energy: -0.966
local terms energy: -479.179594
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -121.190
flat angles C4'-P-C4' energy: -92.935
flat angles P-C4'-P energy: -72.925
tors. eta vs tors. theta energy: -84.493
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -832.337577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.337577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.337577 (E_RNA)
where:
Base-Base interactions energy: -445.365
where: short stacking energy: -266.689
Base-Backbone interact. energy: -3.170
local terms energy: -383.801871
where:
bonds (distance) C4'-P energy: -105.329
bonds (distance) P-C4' energy: -103.393
flat angles C4'-P-C4' energy: -110.212
flat angles P-C4'-P energy: -64.524
tors. eta vs tors. theta energy: -0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2609.052285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.052285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.052285 (E_RNA)
where:
Base-Base interactions energy: -1855.458
where: short stacking energy: -771.168
Base-Backbone interact. energy: -4.224
local terms energy: -749.370217
where:
bonds (distance) C4'-P energy: -129.283
bonds (distance) P-C4' energy: -143.534
flat angles C4'-P-C4' energy: -165.408
flat angles P-C4'-P energy: -102.961
tors. eta vs tors. theta energy: -208.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2544.802014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.802014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.802014 (E_RNA)
where:
Base-Base interactions energy: -1783.517
where: short stacking energy: -765.879
Base-Backbone interact. energy: -3.035
local terms energy: -758.250033
where:
bonds (distance) C4'-P energy: -139.229
bonds (distance) P-C4' energy: -133.817
flat angles C4'-P-C4' energy: -158.147
flat angles P-C4'-P energy: -101.165
tors. eta vs tors. theta energy: -225.892
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: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2447.548437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.548437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.548437 (E_RNA)
where:
Base-Base interactions energy: -1735.961
where: short stacking energy: -735.112
Base-Backbone interact. energy: -3.360
local terms energy: -708.226929
where:
bonds (distance) C4'-P energy: -123.123
bonds (distance) P-C4' energy: -131.583
flat angles C4'-P-C4' energy: -146.706
flat angles P-C4'-P energy: -106.283
tors. eta vs tors. theta energy: -200.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2346.841659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.841659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.841659 (E_RNA)
where:
Base-Base interactions energy: -1661.408
where: short stacking energy: -671.510
Base-Backbone interact. energy: -7.124
local terms energy: -678.309639
where:
bonds (distance) C4'-P energy: -122.090
bonds (distance) P-C4' energy: -123.609
flat angles C4'-P-C4' energy: -144.041
flat angles P-C4'-P energy: -98.709
tors. eta vs tors. theta energy: -189.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2259.428832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.428832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.428832 (E_RNA)
where:
Base-Base interactions energy: -1583.979
where: short stacking energy: -673.268
Base-Backbone interact. energy: -0.543
local terms energy: -674.907562
where:
bonds (distance) C4'-P energy: -127.472
bonds (distance) P-C4' energy: -116.091
flat angles C4'-P-C4' energy: -137.435
flat angles P-C4'-P energy: -104.668
tors. eta vs tors. theta energy: -189.241
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: 6, replica: 6
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -2161.077943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.077943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.077943 (E_RNA)
where:
Base-Base interactions energy: -1549.870
where: short stacking energy: -650.876
Base-Backbone interact. energy: -3.043
local terms energy: -608.165024
where:
bonds (distance) C4'-P energy: -114.032
bonds (distance) P-C4' energy: -120.929
flat angles C4'-P-C4' energy: -133.541
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -162.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1916.856487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.856487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.856487 (E_RNA)
where:
Base-Base interactions energy: -1323.432
where: short stacking energy: -537.183
Base-Backbone interact. energy: -2.828
local terms energy: -590.596473
where:
bonds (distance) C4'-P energy: -132.678
bonds (distance) P-C4' energy: -131.740
flat angles C4'-P-C4' energy: -129.828
flat angles P-C4'-P energy: -68.187
tors. eta vs tors. theta energy: -128.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1628.029106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.029106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.029106 (E_RNA)
where:
Base-Base interactions energy: -1099.707
where: short stacking energy: -456.976
Base-Backbone interact. energy: -3.879
local terms energy: -524.443224
where:
bonds (distance) C4'-P energy: -105.252
bonds (distance) P-C4' energy: -127.804
flat angles C4'-P-C4' energy: -117.172
flat angles P-C4'-P energy: -68.330
tors. eta vs tors. theta energy: -105.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1406.963963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.963963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.963963 (E_RNA)
where:
Base-Base interactions energy: -945.807
where: short stacking energy: -382.248
Base-Backbone interact. energy: 1.405
local terms energy: -462.561505
where:
bonds (distance) C4'-P energy: -107.748
bonds (distance) P-C4' energy: -113.924
flat angles C4'-P-C4' energy: -101.590
flat angles P-C4'-P energy: -71.211
tors. eta vs tors. theta energy: -68.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -893.254197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.254197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.254197 (E_RNA)
where:
Base-Base interactions energy: -511.341
where: short stacking energy: -280.120
Base-Backbone interact. energy: 3.856
local terms energy: -385.769376
where:
bonds (distance) C4'-P energy: -111.799
bonds (distance) P-C4' energy: -113.595
flat angles C4'-P-C4' energy: -82.219
flat angles P-C4'-P energy: -50.829
tors. eta vs tors. theta energy: -27.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2582.742657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.742657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.742657 (E_RNA)
where:
Base-Base interactions energy: -1810.415
where: short stacking energy: -760.773
Base-Backbone interact. energy: -0.624
local terms energy: -771.703633
where:
bonds (distance) C4'-P energy: -134.765
bonds (distance) P-C4' energy: -146.865
flat angles C4'-P-C4' energy: -172.587
flat angles P-C4'-P energy: -99.678
tors. eta vs tors. theta energy: -217.809
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: 7
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2557.987960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.987960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.987960 (E_RNA)
where:
Base-Base interactions energy: -1808.329
where: short stacking energy: -752.597
Base-Backbone interact. energy: 0.438
local terms energy: -750.097151
where:
bonds (distance) C4'-P energy: -131.257
bonds (distance) P-C4' energy: -134.493
flat angles C4'-P-C4' energy: -168.609
flat angles P-C4'-P energy: -100.721
tors. eta vs tors. theta energy: -215.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2439.537198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.537198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.537198 (E_RNA)
where:
Base-Base interactions energy: -1734.438
where: short stacking energy: -721.308
Base-Backbone interact. energy: -1.643
local terms energy: -703.456371
where:
bonds (distance) C4'-P energy: -129.206
bonds (distance) P-C4' energy: -126.334
flat angles C4'-P-C4' energy: -150.234
flat angles P-C4'-P energy: -94.261
tors. eta vs tors. theta energy: -203.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2420.345494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.345494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.345494 (E_RNA)
where:
Base-Base interactions energy: -1702.248
where: short stacking energy: -721.824
Base-Backbone interact. energy: -6.713
local terms energy: -711.384073
where:
bonds (distance) C4'-P energy: -125.354
bonds (distance) P-C4' energy: -129.684
flat angles C4'-P-C4' energy: -149.224
flat angles P-C4'-P energy: -96.552
tors. eta vs tors. theta energy: -210.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2204.450905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.450905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.450905 (E_RNA)
where:
Base-Base interactions energy: -1531.792
where: short stacking energy: -630.153
Base-Backbone interact. energy: 1.252
local terms energy: -673.910591
where:
bonds (distance) C4'-P energy: -123.987
bonds (distance) P-C4' energy: -132.004
flat angles C4'-P-C4' energy: -144.396
flat angles P-C4'-P energy: -89.466
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: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2206.320513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.320513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.320513 (E_RNA)
where:
Base-Base interactions energy: -1568.829
where: short stacking energy: -640.381
Base-Backbone interact. energy: -1.350
local terms energy: -636.140968
where:
bonds (distance) C4'-P energy: -113.965
bonds (distance) P-C4' energy: -127.236
flat angles C4'-P-C4' energy: -137.471
flat angles P-C4'-P energy: -74.181
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: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1913.428755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.428755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.428755 (E_RNA)
where:
Base-Base interactions energy: -1362.846
where: short stacking energy: -547.443
Base-Backbone interact. energy: 0.380
local terms energy: -550.962437
where:
bonds (distance) C4'-P energy: -110.077
bonds (distance) P-C4' energy: -116.934
flat angles C4'-P-C4' energy: -126.481
flat angles P-C4'-P energy: -71.707
tors. eta vs tors. theta energy: -125.764
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: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1659.103459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.103459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.103459 (E_RNA)
where:
Base-Base interactions energy: -1127.899
where: short stacking energy: -532.735
Base-Backbone interact. energy: -0.761
local terms energy: -530.443221
where:
bonds (distance) C4'-P energy: -98.070
bonds (distance) P-C4' energy: -118.331
flat angles C4'-P-C4' energy: -123.556
flat angles P-C4'-P energy: -75.588
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: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1403.711006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.711006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.711006 (E_RNA)
where:
Base-Base interactions energy: -930.559
where: short stacking energy: -414.874
Base-Backbone interact. energy: -4.053
local terms energy: -469.099298
where:
bonds (distance) C4'-P energy: -103.560
bonds (distance) P-C4' energy: -118.354
flat angles C4'-P-C4' energy: -88.759
flat angles P-C4'-P energy: -83.268
tors. eta vs tors. theta energy: -75.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -897.852010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.852010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.852010 (E_RNA)
where:
Base-Base interactions energy: -505.478
where: short stacking energy: -291.465
Base-Backbone interact. energy: 0.037
local terms energy: -392.411891
where:
bonds (distance) C4'-P energy: -100.339
bonds (distance) P-C4' energy: -84.436
flat angles C4'-P-C4' energy: -114.634
flat angles P-C4'-P energy: -62.172
tors. eta vs tors. theta energy: -30.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2588.874939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.874939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.874939 (E_RNA)
where:
Base-Base interactions energy: -1816.107
where: short stacking energy: -764.176
Base-Backbone interact. energy: -5.746
local terms energy: -767.021107
where:
bonds (distance) C4'-P energy: -132.446
bonds (distance) P-C4' energy: -160.189
flat angles C4'-P-C4' energy: -158.367
flat angles P-C4'-P energy: -97.453
tors. eta vs tors. theta energy: -218.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2527.310879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.310879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.310879 (E_RNA)
where:
Base-Base interactions energy: -1790.138
where: short stacking energy: -732.260
Base-Backbone interact. energy: -4.315
local terms energy: -732.857765
where:
bonds (distance) C4'-P energy: -129.734
bonds (distance) P-C4' energy: -136.213
flat angles C4'-P-C4' energy: -151.480
flat angles P-C4'-P energy: -104.962
tors. eta vs tors. theta energy: -210.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -2405.164337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.164337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.164337 (E_RNA)
where:
Base-Base interactions energy: -1721.509
where: short stacking energy: -698.645
Base-Backbone interact. energy: 3.578
local terms energy: -687.233712
where:
bonds (distance) C4'-P energy: -119.404
bonds (distance) P-C4' energy: -138.980
flat angles C4'-P-C4' energy: -144.858
flat angles P-C4'-P energy: -99.657
tors. eta vs tors. theta energy: -184.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2368.620861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.620861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.620861 (E_RNA)
where:
Base-Base interactions energy: -1665.629
where: short stacking energy: -706.717
Base-Backbone interact. energy: -0.771
local terms energy: -702.220894
where:
bonds (distance) C4'-P energy: -127.975
bonds (distance) P-C4' energy: -117.662
flat angles C4'-P-C4' energy: -155.484
flat angles P-C4'-P energy: -104.871
tors. eta vs tors. theta energy: -196.228
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: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2256.587669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.587669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.587669 (E_RNA)
where:
Base-Base interactions energy: -1592.657
where: short stacking energy: -688.760
Base-Backbone interact. energy: -0.688
local terms energy: -663.242710
where:
bonds (distance) C4'-P energy: -107.739
bonds (distance) P-C4' energy: -120.634
flat angles C4'-P-C4' energy: -144.413
flat angles P-C4'-P energy: -100.981
tors. eta vs tors. theta energy: -189.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -2160.499622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.499622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.499622 (E_RNA)
where:
Base-Base interactions energy: -1500.710
where: short stacking energy: -622.960
Base-Backbone interact. energy: -3.647
local terms energy: -656.143022
where:
bonds (distance) C4'-P energy: -124.772
bonds (distance) P-C4' energy: -114.311
flat angles C4'-P-C4' energy: -139.966
flat angles P-C4'-P energy: -98.521
tors. eta vs tors. theta energy: -178.573
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: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1858.525873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.525873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.525873 (E_RNA)
where:
Base-Base interactions energy: -1277.736
where: short stacking energy: -538.166
Base-Backbone interact. energy: -1.627
local terms energy: -579.163278
where:
bonds (distance) C4'-P energy: -127.708
bonds (distance) P-C4' energy: -105.714
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -91.720
tors. eta vs tors. theta energy: -123.356
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1506.857634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.857634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.857634 (E_RNA)
where:
Base-Base interactions energy: -984.877
where: short stacking energy: -464.070
Base-Backbone interact. energy: -1.521
local terms energy: -520.459770
where:
bonds (distance) C4'-P energy: -107.587
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -132.923
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: -104.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1369.901871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.901871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.901871 (E_RNA)
where:
Base-Base interactions energy: -923.342
where: short stacking energy: -379.873
Base-Backbone interact. energy: 5.482
local terms energy: -452.042034
where:
bonds (distance) C4'-P energy: -100.671
bonds (distance) P-C4' energy: -100.566
flat angles C4'-P-C4' energy: -104.851
flat angles P-C4'-P energy: -73.561
tors. eta vs tors. theta energy: -72.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -891.978370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.978370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.978370 (E_RNA)
where:
Base-Base interactions energy: -492.266
where: short stacking energy: -259.041
Base-Backbone interact. energy: 1.584
local terms energy: -401.296672
where:
bonds (distance) C4'-P energy: -106.367
bonds (distance) P-C4' energy: -127.956
flat angles C4'-P-C4' energy: -110.855
flat angles P-C4'-P energy: -42.865
tors. eta vs tors. theta energy: -13.254
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: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2592.521131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.521131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.521131 (E_RNA)
where:
Base-Base interactions energy: -1810.192
where: short stacking energy: -762.503
Base-Backbone interact. energy: -5.114
local terms energy: -777.215383
where:
bonds (distance) C4'-P energy: -136.543
bonds (distance) P-C4' energy: -157.237
flat angles C4'-P-C4' energy: -165.708
flat angles P-C4'-P energy: -108.833
tors. eta vs tors. theta energy: -208.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2566.158899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.158899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.158899 (E_RNA)
where:
Base-Base interactions energy: -1803.311
where: short stacking energy: -762.917
Base-Backbone interact. energy: -2.429
local terms energy: -760.419173
where:
bonds (distance) C4'-P energy: -148.549
bonds (distance) P-C4' energy: -143.567
flat angles C4'-P-C4' energy: -145.864
flat angles P-C4'-P energy: -104.360
tors. eta vs tors. theta energy: -218.079
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: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -2452.828167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.828167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.828167 (E_RNA)
where:
Base-Base interactions energy: -1757.300
where: short stacking energy: -736.191
Base-Backbone interact. energy: -5.697
local terms energy: -689.831300
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -127.342
flat angles C4'-P-C4' energy: -159.160
flat angles P-C4'-P energy: -88.661
tors. eta vs tors. theta energy: -195.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2356.566802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.566802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.566802 (E_RNA)
where:
Base-Base interactions energy: -1687.733
where: short stacking energy: -691.258
Base-Backbone interact. energy: -1.513
local terms energy: -667.320817
where:
bonds (distance) C4'-P energy: -118.428
bonds (distance) P-C4' energy: -127.019
flat angles C4'-P-C4' energy: -153.502
flat angles P-C4'-P energy: -89.949
tors. eta vs tors. theta energy: -178.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2261.831058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.831058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.831058 (E_RNA)
where:
Base-Base interactions energy: -1562.608
where: short stacking energy: -672.966
Base-Backbone interact. energy: 1.861
local terms energy: -701.084512
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -144.169
flat angles C4'-P-C4' energy: -155.476
flat angles P-C4'-P energy: -99.769
tors. eta vs tors. theta energy: -194.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -2169.301343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.301343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.301343 (E_RNA)
where:
Base-Base interactions energy: -1516.781
where: short stacking energy: -613.507
Base-Backbone interact. energy: 1.608
local terms energy: -654.128238
where:
bonds (distance) C4'-P energy: -108.121
bonds (distance) P-C4' energy: -131.525
flat angles C4'-P-C4' energy: -156.323
flat angles P-C4'-P energy: -92.738
tors. eta vs tors. theta energy: -165.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1914.996845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.996845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.996845 (E_RNA)
where:
Base-Base interactions energy: -1347.656
where: short stacking energy: -553.539
Base-Backbone interact. energy: -0.708
local terms energy: -566.633085
where:
bonds (distance) C4'-P energy: -97.789
bonds (distance) P-C4' energy: -117.089
flat angles C4'-P-C4' energy: -132.917
flat angles P-C4'-P energy: -77.759
tors. eta vs tors. theta energy: -141.080
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: 404
Temperature: 1.250000
Total energy: -1548.193700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.193700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.193700 (E_RNA)
where:
Base-Base interactions energy: -1014.062
where: short stacking energy: -472.615
Base-Backbone interact. energy: 5.723
local terms energy: -539.854679
where:
bonds (distance) C4'-P energy: -104.469
bonds (distance) P-C4' energy: -137.611
flat angles C4'-P-C4' energy: -122.278
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -102.992
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: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1437.739786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.739786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.739786 (E_RNA)
where:
Base-Base interactions energy: -947.502
where: short stacking energy: -394.653
Base-Backbone interact. energy: -1.161
local terms energy: -489.076853
where:
bonds (distance) C4'-P energy: -105.576
bonds (distance) P-C4' energy: -119.965
flat angles C4'-P-C4' energy: -120.635
flat angles P-C4'-P energy: -79.772
tors. eta vs tors. theta energy: -63.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -881.290161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.290161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.290161 (E_RNA)
where:
Base-Base interactions energy: -483.058
where: short stacking energy: -251.359
Base-Backbone interact. energy: 0.260
local terms energy: -398.492044
where:
bonds (distance) C4'-P energy: -86.938
bonds (distance) P-C4' energy: -121.229
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -59.251
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2580.859796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.859796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.859796 (E_RNA)
where:
Base-Base interactions energy: -1833.023
where: short stacking energy: -762.030
Base-Backbone interact. energy: -2.264
local terms energy: -745.572399
where:
bonds (distance) C4'-P energy: -122.913
bonds (distance) P-C4' energy: -141.404
flat angles C4'-P-C4' energy: -162.556
flat angles P-C4'-P energy: -111.253
tors. eta vs tors. theta energy: -207.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2524.611448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.611448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.611448 (E_RNA)
where:
Base-Base interactions energy: -1766.555
where: short stacking energy: -744.202
Base-Backbone interact. energy: -0.992
local terms energy: -757.064052
where:
bonds (distance) C4'-P energy: -132.741
bonds (distance) P-C4' energy: -152.986
flat angles C4'-P-C4' energy: -155.172
flat angles P-C4'-P energy: -105.427
tors. eta vs tors. theta energy: -210.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2414.638687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.638687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.638687 (E_RNA)
where:
Base-Base interactions energy: -1729.269
where: short stacking energy: -717.556
Base-Backbone interact. energy: 1.724
local terms energy: -687.092929
where:
bonds (distance) C4'-P energy: -97.346
bonds (distance) P-C4' energy: -124.621
flat angles C4'-P-C4' energy: -162.185
flat angles P-C4'-P energy: -111.385
tors. eta vs tors. theta energy: -191.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2375.854121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.854121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.854121 (E_RNA)
where:
Base-Base interactions energy: -1675.298
where: short stacking energy: -694.063
Base-Backbone interact. energy: -5.517
local terms energy: -695.039232
where:
bonds (distance) C4'-P energy: -131.173
bonds (distance) P-C4' energy: -121.131
flat angles C4'-P-C4' energy: -156.102
flat angles P-C4'-P energy: -93.009
tors. eta vs tors. theta energy: -193.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2206.475554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.475554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.475554 (E_RNA)
where:
Base-Base interactions energy: -1533.801
where: short stacking energy: -690.718
Base-Backbone interact. energy: 0.129
local terms energy: -672.804166
where:
bonds (distance) C4'-P energy: -111.274
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -149.501
flat angles P-C4'-P energy: -103.488
tors. eta vs tors. theta energy: -184.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -2164.720026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.720026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.720026 (E_RNA)
where:
Base-Base interactions energy: -1498.522
where: short stacking energy: -635.581
Base-Backbone interact. energy: -0.956
local terms energy: -665.242684
where:
bonds (distance) C4'-P energy: -121.374
bonds (distance) P-C4' energy: -149.365
flat angles C4'-P-C4' energy: -132.907
flat angles P-C4'-P energy: -95.627
tors. eta vs tors. theta energy: -165.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1936.647176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.647176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.647176 (E_RNA)
where:
Base-Base interactions energy: -1349.062
where: short stacking energy: -537.662
Base-Backbone interact. energy: -4.189
local terms energy: -583.396446
where:
bonds (distance) C4'-P energy: -103.173
bonds (distance) P-C4' energy: -117.275
flat angles C4'-P-C4' energy: -137.307
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -136.599
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: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1485.360631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.360631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.360631 (E_RNA)
where:
Base-Base interactions energy: -975.450
where: short stacking energy: -417.718
Base-Backbone interact. energy: -4.850
local terms energy: -505.060812
where:
bonds (distance) C4'-P energy: -115.173
bonds (distance) P-C4' energy: -131.614
flat angles C4'-P-C4' energy: -118.063
flat angles P-C4'-P energy: -66.473
tors. eta vs tors. theta energy: -73.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1351.809762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.809762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.809762 (E_RNA)
where:
Base-Base interactions energy: -893.500
where: short stacking energy: -386.869
Base-Backbone interact. energy: 1.508
local terms energy: -459.818487
where:
bonds (distance) C4'-P energy: -87.136
bonds (distance) P-C4' energy: -128.091
flat angles C4'-P-C4' energy: -109.019
flat angles P-C4'-P energy: -62.379
tors. eta vs tors. theta energy: -73.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -859.203584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.203584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.203584 (E_RNA)
where:
Base-Base interactions energy: -501.645
where: short stacking energy: -251.946
Base-Backbone interact. energy: 0.044
local terms energy: -357.602433
where:
bonds (distance) C4'-P energy: -94.427
bonds (distance) P-C4' energy: -119.940
flat angles C4'-P-C4' energy: -84.798
flat angles P-C4'-P energy: -55.364
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -2597.267668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.267668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.267668 (E_RNA)
where:
Base-Base interactions energy: -1845.142
where: short stacking energy: -763.233
Base-Backbone interact. energy: 5.397
local terms energy: -757.522452
where:
bonds (distance) C4'-P energy: -126.434
bonds (distance) P-C4' energy: -145.282
flat angles C4'-P-C4' energy: -159.743
flat angles P-C4'-P energy: -112.146
tors. eta vs tors. theta energy: -213.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2529.136489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.136489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.136489 (E_RNA)
where:
Base-Base interactions energy: -1785.976
where: short stacking energy: -758.567
Base-Backbone interact. energy: -1.782
local terms energy: -741.377727
where:
bonds (distance) C4'-P energy: -122.486
bonds (distance) P-C4' energy: -141.906
flat angles C4'-P-C4' energy: -151.207
flat angles P-C4'-P energy: -105.232
tors. eta vs tors. theta energy: -220.547
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: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -2424.130573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.130573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.130573 (E_RNA)
where:
Base-Base interactions energy: -1734.296
where: short stacking energy: -696.905
Base-Backbone interact. energy: -5.181
local terms energy: -684.653755
where:
bonds (distance) C4'-P energy: -119.837
bonds (distance) P-C4' energy: -125.911
flat angles C4'-P-C4' energy: -150.515
flat angles P-C4'-P energy: -89.693
tors. eta vs tors. theta energy: -198.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2332.699056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.699056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.699056 (E_RNA)
where:
Base-Base interactions energy: -1674.595
where: short stacking energy: -679.221
Base-Backbone interact. energy: 1.095
local terms energy: -659.198517
where:
bonds (distance) C4'-P energy: -119.667
bonds (distance) P-C4' energy: -136.684
flat angles C4'-P-C4' energy: -137.943
flat angles P-C4'-P energy: -86.836
tors. eta vs tors. theta energy: -178.068
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: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2202.581282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.581282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.581282 (E_RNA)
where:
Base-Base interactions energy: -1542.039
where: short stacking energy: -651.929
Base-Backbone interact. energy: 2.087
local terms energy: -662.629293
where:
bonds (distance) C4'-P energy: -135.790
bonds (distance) P-C4' energy: -137.787
flat angles C4'-P-C4' energy: -140.461
flat angles P-C4'-P energy: -81.602
tors. eta vs tors. theta energy: -166.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2173.563622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.563622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.563622 (E_RNA)
where:
Base-Base interactions energy: -1497.705
where: short stacking energy: -640.294
Base-Backbone interact. energy: -3.660
local terms energy: -672.198318
where:
bonds (distance) C4'-P energy: -130.430
bonds (distance) P-C4' energy: -120.210
flat angles C4'-P-C4' energy: -149.314
flat angles P-C4'-P energy: -90.127
tors. eta vs tors. theta energy: -182.118
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: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1901.709752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.709752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.709752 (E_RNA)
where:
Base-Base interactions energy: -1299.668
where: short stacking energy: -553.754
Base-Backbone interact. energy: -5.335
local terms energy: -596.706770
where:
bonds (distance) C4'-P energy: -112.836
bonds (distance) P-C4' energy: -119.155
flat angles C4'-P-C4' energy: -130.673
flat angles P-C4'-P energy: -92.529
tors. eta vs tors. theta energy: -141.513
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: 1
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1533.168081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.168081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.168081 (E_RNA)
where:
Base-Base interactions energy: -1018.009
where: short stacking energy: -445.198
Base-Backbone interact. energy: 9.138
local terms energy: -524.297909
where:
bonds (distance) C4'-P energy: -118.819
bonds (distance) P-C4' energy: -124.441
flat angles C4'-P-C4' energy: -111.117
flat angles P-C4'-P energy: -96.784
tors. eta vs tors. theta energy: -73.136
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: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1337.299799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.299799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.299799 (E_RNA)
where:
Base-Base interactions energy: -851.533
where: short stacking energy: -383.905
Base-Backbone interact. energy: -0.477
local terms energy: -485.289635
where:
bonds (distance) C4'-P energy: -94.033
bonds (distance) P-C4' energy: -121.135
flat angles C4'-P-C4' energy: -120.979
flat angles P-C4'-P energy: -66.017
tors. eta vs tors. theta energy: -83.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -881.188511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.188511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.188511 (E_RNA)
where:
Base-Base interactions energy: -501.079
where: short stacking energy: -288.773
Base-Backbone interact. energy: 4.710
local terms energy: -384.819147
where:
bonds (distance) C4'-P energy: -88.075
bonds (distance) P-C4' energy: -92.561
flat angles C4'-P-C4' energy: -108.345
flat angles P-C4'-P energy: -68.780
tors. eta vs tors. theta energy: -27.057
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: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2576.658536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.658536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.658536 (E_RNA)
where:
Base-Base interactions energy: -1819.381
where: short stacking energy: -744.167
Base-Backbone interact. energy: -3.695
local terms energy: -753.582130
where:
bonds (distance) C4'-P energy: -136.909
bonds (distance) P-C4' energy: -139.332
flat angles C4'-P-C4' energy: -165.327
flat angles P-C4'-P energy: -103.419
tors. eta vs tors. theta energy: -208.595
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: 2, replica: 5
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2542.422811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.422811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.422811 (E_RNA)
where:
Base-Base interactions energy: -1797.085
where: short stacking energy: -780.176
Base-Backbone interact. energy: 0.189
local terms energy: -745.526977
where:
bonds (distance) C4'-P energy: -137.707
bonds (distance) P-C4' energy: -136.210
flat angles C4'-P-C4' energy: -154.699
flat angles P-C4'-P energy: -101.787
tors. eta vs tors. theta energy: -215.124
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2409.341240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.341240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.341240 (E_RNA)
where:
Base-Base interactions energy: -1720.969
where: short stacking energy: -710.502
Base-Backbone interact. energy: -2.146
local terms energy: -686.226452
where:
bonds (distance) C4'-P energy: -120.042
bonds (distance) P-C4' energy: -128.395
flat angles C4'-P-C4' energy: -148.619
flat angles P-C4'-P energy: -96.496
tors. eta vs tors. theta energy: -192.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2373.615372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.615372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.615372 (E_RNA)
where:
Base-Base interactions energy: -1691.142
where: short stacking energy: -696.629
Base-Backbone interact. energy: 2.618
local terms energy: -685.090653
where:
bonds (distance) C4'-P energy: -125.299
bonds (distance) P-C4' energy: -125.484
flat angles C4'-P-C4' energy: -149.571
flat angles P-C4'-P energy: -93.238
tors. eta vs tors. theta energy: -191.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2242.207072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.207072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.207072 (E_RNA)
where:
Base-Base interactions energy: -1573.093
where: short stacking energy: -662.732
Base-Backbone interact. energy: 0.099
local terms energy: -669.213164
where:
bonds (distance) C4'-P energy: -116.154
bonds (distance) P-C4' energy: -132.778
flat angles C4'-P-C4' energy: -150.570
flat angles P-C4'-P energy: -88.910
tors. eta vs tors. theta energy: -180.802
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: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2210.271750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.271750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.271750 (E_RNA)
where:
Base-Base interactions energy: -1532.589
where: short stacking energy: -681.222
Base-Backbone interact. energy: -1.677
local terms energy: -676.006548
where:
bonds (distance) C4'-P energy: -122.313
bonds (distance) P-C4' energy: -133.058
flat angles C4'-P-C4' energy: -139.132
flat angles P-C4'-P energy: -89.419
tors. eta vs tors. theta energy: -192.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1912.750201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.750201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.750201 (E_RNA)
where:
Base-Base interactions energy: -1317.410
where: short stacking energy: -573.806
Base-Backbone interact. energy: -2.528
local terms energy: -592.812337
where:
bonds (distance) C4'-P energy: -118.079
bonds (distance) P-C4' energy: -131.595
flat angles C4'-P-C4' energy: -132.773
flat angles P-C4'-P energy: -83.580
tors. eta vs tors. theta energy: -126.786
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: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1535.369919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.369919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.369919 (E_RNA)
where:
Base-Base interactions energy: -1021.727
where: short stacking energy: -440.133
Base-Backbone interact. energy: 0.655
local terms energy: -514.297923
where:
bonds (distance) C4'-P energy: -126.282
bonds (distance) P-C4' energy: -126.237
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -66.878
tors. eta vs tors. theta energy: -77.456
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: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1361.022577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.022577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.022577 (E_RNA)
where:
Base-Base interactions energy: -888.265
where: short stacking energy: -395.445
Base-Backbone interact. energy: -2.127
local terms energy: -470.631128
where:
bonds (distance) C4'-P energy: -108.690
bonds (distance) P-C4' energy: -115.363
flat angles C4'-P-C4' energy: -103.229
flat angles P-C4'-P energy: -65.123
tors. eta vs tors. theta energy: -78.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -918.862586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.862586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.862586 (E_RNA)
where:
Base-Base interactions energy: -518.049
where: short stacking energy: -285.652
Base-Backbone interact. energy: -2.440
local terms energy: -398.373228
where:
bonds (distance) C4'-P energy: -89.693
bonds (distance) P-C4' energy: -122.492
flat angles C4'-P-C4' energy: -113.430
flat angles P-C4'-P energy: -49.240
tors. eta vs tors. theta energy: -23.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2591.104515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.104515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.104515 (E_RNA)
where:
Base-Base interactions energy: -1809.843
where: short stacking energy: -779.592
Base-Backbone interact. energy: -2.124
local terms energy: -779.137240
where:
bonds (distance) C4'-P energy: -139.107
bonds (distance) P-C4' energy: -145.524
flat angles C4'-P-C4' energy: -157.582
flat angles P-C4'-P energy: -118.814
tors. eta vs tors. theta energy: -218.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2560.807865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.807865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.807865 (E_RNA)
where:
Base-Base interactions energy: -1805.205
where: short stacking energy: -735.003
Base-Backbone interact. energy: 1.102
local terms energy: -756.704942
where:
bonds (distance) C4'-P energy: -148.572
bonds (distance) P-C4' energy: -128.044
flat angles C4'-P-C4' energy: -161.259
flat angles P-C4'-P energy: -103.949
tors. eta vs tors. theta energy: -214.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2394.675107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.675107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.675107 (E_RNA)
where:
Base-Base interactions energy: -1701.577
where: short stacking energy: -704.054
Base-Backbone interact. energy: -5.462
local terms energy: -687.636161
where:
bonds (distance) C4'-P energy: -137.117
bonds (distance) P-C4' energy: -123.402
flat angles C4'-P-C4' energy: -144.064
flat angles P-C4'-P energy: -100.202
tors. eta vs tors. theta energy: -182.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2378.252913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.252913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.252913 (E_RNA)
where:
Base-Base interactions energy: -1702.005
where: short stacking energy: -696.337
Base-Backbone interact. energy: -2.002
local terms energy: -674.246006
where:
bonds (distance) C4'-P energy: -111.330
bonds (distance) P-C4' energy: -134.904
flat angles C4'-P-C4' energy: -140.687
flat angles P-C4'-P energy: -89.955
tors. eta vs tors. theta energy: -197.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2277.925686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.925686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.925686 (E_RNA)
where:
Base-Base interactions energy: -1591.091
where: short stacking energy: -677.351
Base-Backbone interact. energy: -2.090
local terms energy: -684.744517
where:
bonds (distance) C4'-P energy: -118.940
bonds (distance) P-C4' energy: -124.967
flat angles C4'-P-C4' energy: -150.497
flat angles P-C4'-P energy: -101.138
tors. eta vs tors. theta energy: -189.202
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: 408
Temperature: 1.150000
Total energy: -2164.021101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.021101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.021101 (E_RNA)
where:
Base-Base interactions energy: -1487.237
where: short stacking energy: -634.120
Base-Backbone interact. energy: 2.787
local terms energy: -679.571173
where:
bonds (distance) C4'-P energy: -122.963
bonds (distance) P-C4' energy: -125.168
flat angles C4'-P-C4' energy: -142.509
flat angles P-C4'-P energy: -101.359
tors. eta vs tors. theta energy: -187.573
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: 9
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1877.664683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.664683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.664683 (E_RNA)
where:
Base-Base interactions energy: -1322.109
where: short stacking energy: -558.578
Base-Backbone interact. energy: -3.372
local terms energy: -552.184159
where:
bonds (distance) C4'-P energy: -98.475
bonds (distance) P-C4' energy: -119.315
flat angles C4'-P-C4' energy: -128.288
flat angles P-C4'-P energy: -68.602
tors. eta vs tors. theta energy: -137.505
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: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1415.714819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.714819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.714819 (E_RNA)
where:
Base-Base interactions energy: -927.371
where: short stacking energy: -397.016
Base-Backbone interact. energy: 0.264
local terms energy: -488.608236
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -121.352
flat angles C4'-P-C4' energy: -109.616
flat angles P-C4'-P energy: -70.738
tors. eta vs tors. theta energy: -67.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1401.049906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.049906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.049906 (E_RNA)
where:
Base-Base interactions energy: -916.349
where: short stacking energy: -435.495
Base-Backbone interact. energy: -0.851
local terms energy: -483.850495
where:
bonds (distance) C4'-P energy: -95.348
bonds (distance) P-C4' energy: -122.797
flat angles C4'-P-C4' energy: -105.140
flat angles P-C4'-P energy: -62.669
tors. eta vs tors. theta energy: -97.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -889.515713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.515713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.515713 (E_RNA)
where:
Base-Base interactions energy: -485.290
where: short stacking energy: -269.278
Base-Backbone interact. energy: -2.816
local terms energy: -401.410045
where:
bonds (distance) C4'-P energy: -117.006
bonds (distance) P-C4' energy: -139.661
flat angles C4'-P-C4' energy: -87.964
flat angles P-C4'-P energy: -43.097
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2585.146586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.146586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.146586 (E_RNA)
where:
Base-Base interactions energy: -1832.287
where: short stacking energy: -772.726
Base-Backbone interact. energy: -3.084
local terms energy: -749.776170
where:
bonds (distance) C4'-P energy: -121.159
bonds (distance) P-C4' energy: -146.118
flat angles C4'-P-C4' energy: -153.906
flat angles P-C4'-P energy: -105.798
tors. eta vs tors. theta energy: -222.795
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: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2548.126091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.126091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.126091 (E_RNA)
where:
Base-Base interactions energy: -1789.334
where: short stacking energy: -723.846
Base-Backbone interact. energy: 0.351
local terms energy: -759.143246
where:
bonds (distance) C4'-P energy: -145.729
bonds (distance) P-C4' energy: -137.595
flat angles C4'-P-C4' energy: -158.772
flat angles P-C4'-P energy: -114.361
tors. eta vs tors. theta energy: -202.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2443.743106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.743106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.743106 (E_RNA)
where:
Base-Base interactions energy: -1738.764
where: short stacking energy: -715.685
Base-Backbone interact. energy: -1.414
local terms energy: -703.565100
where:
bonds (distance) C4'-P energy: -122.921
bonds (distance) P-C4' energy: -129.541
flat angles C4'-P-C4' energy: -159.753
flat angles P-C4'-P energy: -94.005
tors. eta vs tors. theta energy: -197.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2406.662210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.662210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.662210 (E_RNA)
where:
Base-Base interactions energy: -1710.335
where: short stacking energy: -724.575
Base-Backbone interact. energy: 2.371
local terms energy: -698.697510
where:
bonds (distance) C4'-P energy: -126.854
bonds (distance) P-C4' energy: -133.072
flat angles C4'-P-C4' energy: -150.278
flat angles P-C4'-P energy: -91.089
tors. eta vs tors. theta energy: -197.406
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: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2242.519231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.519231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.519231 (E_RNA)
where:
Base-Base interactions energy: -1586.273
where: short stacking energy: -670.170
Base-Backbone interact. energy: -2.069
local terms energy: -654.176587
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -117.627
flat angles C4'-P-C4' energy: -146.456
flat angles P-C4'-P energy: -101.853
tors. eta vs tors. theta energy: -191.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2205.793681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.793681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.793681 (E_RNA)
where:
Base-Base interactions energy: -1531.721
where: short stacking energy: -668.237
Base-Backbone interact. energy: -2.017
local terms energy: -672.055969
where:
bonds (distance) C4'-P energy: -122.299
bonds (distance) P-C4' energy: -115.906
flat angles C4'-P-C4' energy: -135.080
flat angles P-C4'-P energy: -95.932
tors. eta vs tors. theta energy: -202.840
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: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1921.796257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.796257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.796257 (E_RNA)
where:
Base-Base interactions energy: -1338.089
where: short stacking energy: -567.614
Base-Backbone interact. energy: -3.972
local terms energy: -579.735212
where:
bonds (distance) C4'-P energy: -111.758
bonds (distance) P-C4' energy: -118.345
flat angles C4'-P-C4' energy: -132.432
flat angles P-C4'-P energy: -71.274
tors. eta vs tors. theta energy: -145.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1516.280582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.280582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.280582 (E_RNA)
where:
Base-Base interactions energy: -995.416
where: short stacking energy: -456.833
Base-Backbone interact. energy: -4.799
local terms energy: -516.066084
where:
bonds (distance) C4'-P energy: -118.952
bonds (distance) P-C4' energy: -112.012
flat angles C4'-P-C4' energy: -131.783
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: -87.961
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: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1340.918132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.918132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.918132 (E_RNA)
where:
Base-Base interactions energy: -858.637
where: short stacking energy: -405.247
Base-Backbone interact. energy: -0.539
local terms energy: -481.742533
where:
bonds (distance) C4'-P energy: -110.312
bonds (distance) P-C4' energy: -124.319
flat angles C4'-P-C4' energy: -104.065
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -69.255
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: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -892.359107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.359107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.359107 (E_RNA)
where:
Base-Base interactions energy: -480.849
where: short stacking energy: -269.352
Base-Backbone interact. energy: 2.114
local terms energy: -413.623312
where:
bonds (distance) C4'-P energy: -103.234
bonds (distance) P-C4' energy: -126.732
flat angles C4'-P-C4' energy: -120.137
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2600.231227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.231227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.231227 (E_RNA)
where:
Base-Base interactions energy: -1841.684
where: short stacking energy: -752.397
Base-Backbone interact. energy: -3.565
local terms energy: -754.981890
where:
bonds (distance) C4'-P energy: -145.775
bonds (distance) P-C4' energy: -132.904
flat angles C4'-P-C4' energy: -159.289
flat angles P-C4'-P energy: -113.419
tors. eta vs tors. theta energy: -203.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2514.894072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.894072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.894072 (E_RNA)
where:
Base-Base interactions energy: -1796.737
where: short stacking energy: -772.907
Base-Backbone interact. energy: -3.458
local terms energy: -714.699739
where:
bonds (distance) C4'-P energy: -108.532
bonds (distance) P-C4' energy: -128.294
flat angles C4'-P-C4' energy: -164.898
flat angles P-C4'-P energy: -95.971
tors. eta vs tors. theta energy: -217.004
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: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2437.800122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.800122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.800122 (E_RNA)
where:
Base-Base interactions energy: -1740.461
where: short stacking energy: -702.358
Base-Backbone interact. energy: -3.551
local terms energy: -693.788319
where:
bonds (distance) C4'-P energy: -131.858
bonds (distance) P-C4' energy: -128.514
flat angles C4'-P-C4' energy: -146.582
flat angles P-C4'-P energy: -101.393
tors. eta vs tors. theta energy: -185.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2398.940263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.940263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.940263 (E_RNA)
where:
Base-Base interactions energy: -1698.901
where: short stacking energy: -704.040
Base-Backbone interact. energy: -0.010
local terms energy: -700.028829
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -142.290
flat angles C4'-P-C4' energy: -147.970
flat angles P-C4'-P energy: -102.303
tors. eta vs tors. theta energy: -188.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2271.976755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.976755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.976755 (E_RNA)
where:
Base-Base interactions energy: -1605.983
where: short stacking energy: -666.070
Base-Backbone interact. energy: 1.041
local terms energy: -667.034270
where:
bonds (distance) C4'-P energy: -107.924
bonds (distance) P-C4' energy: -127.922
flat angles C4'-P-C4' energy: -145.047
flat angles P-C4'-P energy: -99.351
tors. eta vs tors. theta energy: -186.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2179.616999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.616999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.616999 (E_RNA)
where:
Base-Base interactions energy: -1503.233
where: short stacking energy: -664.445
Base-Backbone interact. energy: -1.821
local terms energy: -674.563169
where:
bonds (distance) C4'-P energy: -124.984
bonds (distance) P-C4' energy: -134.232
flat angles C4'-P-C4' energy: -132.759
flat angles P-C4'-P energy: -91.585
tors. eta vs tors. theta energy: -191.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1921.302831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.302831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.302831 (E_RNA)
where:
Base-Base interactions energy: -1347.261
where: short stacking energy: -564.286
Base-Backbone interact. energy: -2.189
local terms energy: -571.852449
where:
bonds (distance) C4'-P energy: -121.585
bonds (distance) P-C4' energy: -105.254
flat angles C4'-P-C4' energy: -133.790
flat angles P-C4'-P energy: -71.417
tors. eta vs tors. theta energy: -139.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1552.801028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.801028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.801028 (E_RNA)
where:
Base-Base interactions energy: -1026.394
where: short stacking energy: -472.493
Base-Backbone interact. energy: 1.650
local terms energy: -528.056990
where:
bonds (distance) C4'-P energy: -118.263
bonds (distance) P-C4' energy: -118.392
flat angles C4'-P-C4' energy: -129.375
flat angles P-C4'-P energy: -60.412
tors. eta vs tors. theta energy: -101.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1339.456317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.456317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.456317 (E_RNA)
where:
Base-Base interactions energy: -862.096
where: short stacking energy: -408.161
Base-Backbone interact. energy: -0.688
local terms energy: -476.672675
where:
bonds (distance) C4'-P energy: -106.611
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -104.007
flat angles P-C4'-P energy: -66.455
tors. eta vs tors. theta energy: -90.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -929.649715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.649715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.649715 (E_RNA)
where:
Base-Base interactions energy: -535.255
where: short stacking energy: -282.922
Base-Backbone interact. energy: 1.996
local terms energy: -396.391505
where:
bonds (distance) C4'-P energy: -91.332
bonds (distance) P-C4' energy: -119.471
flat angles C4'-P-C4' energy: -112.885
flat angles P-C4'-P energy: -53.241
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2599.560156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.560156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.560156 (E_RNA)
where:
Base-Base interactions energy: -1858.232
where: short stacking energy: -776.784
Base-Backbone interact. energy: 8.373
local terms energy: -749.701365
where:
bonds (distance) C4'-P energy: -126.768
bonds (distance) P-C4' energy: -143.987
flat angles C4'-P-C4' energy: -166.120
flat angles P-C4'-P energy: -108.892
tors. eta vs tors. theta energy: -203.934
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: 411
Temperature: 0.950000
Total energy: -2524.056297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.056297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.056297 (E_RNA)
where:
Base-Base interactions energy: -1777.764
where: short stacking energy: -745.006
Base-Backbone interact. energy: 0.252
local terms energy: -746.544259
where:
bonds (distance) C4'-P energy: -114.903
bonds (distance) P-C4' energy: -137.733
flat angles C4'-P-C4' energy: -158.597
flat angles P-C4'-P energy: -117.339
tors. eta vs tors. theta energy: -217.972
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: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2423.994460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.994460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.994460 (E_RNA)
where:
Base-Base interactions energy: -1722.867
where: short stacking energy: -689.430
Base-Backbone interact. energy: -6.433
local terms energy: -694.694975
where:
bonds (distance) C4'-P energy: -129.307
bonds (distance) P-C4' energy: -137.435
flat angles C4'-P-C4' energy: -146.483
flat angles P-C4'-P energy: -91.120
tors. eta vs tors. theta energy: -190.350
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: 411
Temperature: 1.050000
Total energy: -2370.183994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.183994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.183994 (E_RNA)
where:
Base-Base interactions energy: -1678.116
where: short stacking energy: -714.821
Base-Backbone interact. energy: -1.921
local terms energy: -690.147760
where:
bonds (distance) C4'-P energy: -122.246
bonds (distance) P-C4' energy: -131.844
flat angles C4'-P-C4' energy: -148.278
flat angles P-C4'-P energy: -91.482
tors. eta vs tors. theta energy: -196.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2226.159102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.159102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.159102 (E_RNA)
where:
Base-Base interactions energy: -1541.770
where: short stacking energy: -655.952
Base-Backbone interact. energy: 2.212
local terms energy: -686.601241
where:
bonds (distance) C4'-P energy: -134.550
bonds (distance) P-C4' energy: -122.843
flat angles C4'-P-C4' energy: -144.864
flat angles P-C4'-P energy: -101.252
tors. eta vs tors. theta energy: -183.093
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: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2212.137667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.137667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.137667 (E_RNA)
where:
Base-Base interactions energy: -1545.555
where: short stacking energy: -654.070
Base-Backbone interact. energy: -0.447
local terms energy: -666.134863
where:
bonds (distance) C4'-P energy: -113.085
bonds (distance) P-C4' energy: -129.498
flat angles C4'-P-C4' energy: -136.812
flat angles P-C4'-P energy: -99.674
tors. eta vs tors. theta energy: -187.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1927.881493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.881493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.881493 (E_RNA)
where:
Base-Base interactions energy: -1338.771
where: short stacking energy: -567.101
Base-Backbone interact. energy: 0.041
local terms energy: -589.151425
where:
bonds (distance) C4'-P energy: -110.726
bonds (distance) P-C4' energy: -127.169
flat angles C4'-P-C4' energy: -125.603
flat angles P-C4'-P energy: -85.668
tors. eta vs tors. theta energy: -139.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1505.275356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.275356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.275356 (E_RNA)
where:
Base-Base interactions energy: -1000.065
where: short stacking energy: -442.274
Base-Backbone interact. energy: -1.616
local terms energy: -503.594525
where:
bonds (distance) C4'-P energy: -107.858
bonds (distance) P-C4' energy: -133.172
flat angles C4'-P-C4' energy: -109.284
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -81.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1370.291871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.291871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.291871 (E_RNA)
where:
Base-Base interactions energy: -877.654
where: short stacking energy: -402.005
Base-Backbone interact. energy: -2.370
local terms energy: -490.267588
where:
bonds (distance) C4'-P energy: -90.900
bonds (distance) P-C4' energy: -103.474
flat angles C4'-P-C4' energy: -125.461
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -87.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -845.772195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.772195 (E_RNA)
where:
Base-Base interactions energy: -441.264
where: short stacking energy: -242.024
Base-Backbone interact. energy: -2.846
local terms energy: -401.662298
where:
bonds (distance) C4'-P energy: -122.837
bonds (distance) P-C4' energy: -110.986
flat angles C4'-P-C4' energy: -108.175
flat angles P-C4'-P energy: -53.564
tors. eta vs tors. theta energy: -6.100
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: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2589.012292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.012292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.012292 (E_RNA)
where:
Base-Base interactions energy: -1841.606
where: short stacking energy: -760.590
Base-Backbone interact. energy: -5.686
local terms energy: -741.720000
where:
bonds (distance) C4'-P energy: -130.178
bonds (distance) P-C4' energy: -135.378
flat angles C4'-P-C4' energy: -156.270
flat angles P-C4'-P energy: -111.754
tors. eta vs tors. theta energy: -208.140
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: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2499.025468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.025468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.025468 (E_RNA)
where:
Base-Base interactions energy: -1774.972
where: short stacking energy: -735.719
Base-Backbone interact. energy: -0.049
local terms energy: -724.005044
where:
bonds (distance) C4'-P energy: -137.388
bonds (distance) P-C4' energy: -128.248
flat angles C4'-P-C4' energy: -146.294
flat angles P-C4'-P energy: -100.372
tors. eta vs tors. theta energy: -211.703
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: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2406.727459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.727459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.727459 (E_RNA)
where:
Base-Base interactions energy: -1731.041
where: short stacking energy: -719.991
Base-Backbone interact. energy: -5.268
local terms energy: -670.418327
where:
bonds (distance) C4'-P energy: -126.040
bonds (distance) P-C4' energy: -119.220
flat angles C4'-P-C4' energy: -137.005
flat angles P-C4'-P energy: -98.156
tors. eta vs tors. theta energy: -189.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2384.780014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.780014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.780014 (E_RNA)
where:
Base-Base interactions energy: -1711.365
where: short stacking energy: -706.142
Base-Backbone interact. energy: -3.480
local terms energy: -669.935128
where:
bonds (distance) C4'-P energy: -120.187
bonds (distance) P-C4' energy: -125.093
flat angles C4'-P-C4' energy: -146.593
flat angles P-C4'-P energy: -89.026
tors. eta vs tors. theta energy: -189.035
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: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2189.234851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.234851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.234851 (E_RNA)
where:
Base-Base interactions energy: -1534.810
where: short stacking energy: -664.535
Base-Backbone interact. energy: -1.599
local terms energy: -652.826573
where:
bonds (distance) C4'-P energy: -110.592
bonds (distance) P-C4' energy: -111.140
flat angles C4'-P-C4' energy: -142.798
flat angles P-C4'-P energy: -94.708
tors. eta vs tors. theta energy: -193.589
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: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2162.979081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.979081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.979081 (E_RNA)
where:
Base-Base interactions energy: -1528.156
where: short stacking energy: -628.836
Base-Backbone interact. energy: 2.264
local terms energy: -637.087590
where:
bonds (distance) C4'-P energy: -108.558
bonds (distance) P-C4' energy: -116.698
flat angles C4'-P-C4' energy: -142.483
flat angles P-C4'-P energy: -95.052
tors. eta vs tors. theta energy: -174.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1875.549046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.549046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.549046 (E_RNA)
where:
Base-Base interactions energy: -1329.411
where: short stacking energy: -561.223
Base-Backbone interact. energy: -3.776
local terms energy: -542.362213
where:
bonds (distance) C4'-P energy: -118.714
bonds (distance) P-C4' energy: -89.773
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -84.042
tors. eta vs tors. theta energy: -125.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1501.437549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.437549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.437549 (E_RNA)
where:
Base-Base interactions energy: -1007.501
where: short stacking energy: -467.782
Base-Backbone interact. energy: -3.931
local terms energy: -490.005749
where:
bonds (distance) C4'-P energy: -107.461
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -117.689
flat angles P-C4'-P energy: -69.088
tors. eta vs tors. theta energy: -92.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1361.619932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.619932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.619932 (E_RNA)
where:
Base-Base interactions energy: -885.182
where: short stacking energy: -411.073
Base-Backbone interact. energy: -0.875
local terms energy: -475.562712
where:
bonds (distance) C4'-P energy: -108.660
bonds (distance) P-C4' energy: -114.004
flat angles C4'-P-C4' energy: -123.241
flat angles P-C4'-P energy: -63.459
tors. eta vs tors. theta energy: -66.199
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: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -873.196017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.196017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.196017 (E_RNA)
where:
Base-Base interactions energy: -489.886
where: short stacking energy: -272.822
Base-Backbone interact. energy: 4.957
local terms energy: -388.267546
where:
bonds (distance) C4'-P energy: -126.484
bonds (distance) P-C4' energy: -97.046
flat angles C4'-P-C4' energy: -97.422
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2581.475466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.475466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.475466 (E_RNA)
where:
Base-Base interactions energy: -1845.252
where: short stacking energy: -774.301
Base-Backbone interact. energy: -1.616
local terms energy: -734.607039
where:
bonds (distance) C4'-P energy: -122.811
bonds (distance) P-C4' energy: -142.698
flat angles C4'-P-C4' energy: -158.051
flat angles P-C4'-P energy: -97.827
tors. eta vs tors. theta energy: -213.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2534.002757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.002757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.002757 (E_RNA)
where:
Base-Base interactions energy: -1797.924
where: short stacking energy: -774.178
Base-Backbone interact. energy: 5.881
local terms energy: -741.959455
where:
bonds (distance) C4'-P energy: -123.470
bonds (distance) P-C4' energy: -144.975
flat angles C4'-P-C4' energy: -161.700
flat angles P-C4'-P energy: -105.922
tors. eta vs tors. theta energy: -205.892
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2415.800548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.800548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.800548 (E_RNA)
where:
Base-Base interactions energy: -1717.165
where: short stacking energy: -710.847
Base-Backbone interact. energy: -1.652
local terms energy: -696.983799
where:
bonds (distance) C4'-P energy: -140.866
bonds (distance) P-C4' energy: -116.049
flat angles C4'-P-C4' energy: -161.841
flat angles P-C4'-P energy: -90.132
tors. eta vs tors. theta energy: -188.096
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: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2370.781105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2370.781105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2370.781105 (E_RNA)
where:
Base-Base interactions energy: -1688.856
where: short stacking energy: -690.560
Base-Backbone interact. energy: 1.599
local terms energy: -683.524734
where:
bonds (distance) C4'-P energy: -109.407
bonds (distance) P-C4' energy: -139.534
flat angles C4'-P-C4' energy: -151.781
flat angles P-C4'-P energy: -98.727
tors. eta vs tors. theta energy: -184.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2207.190296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.190296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.190296 (E_RNA)
where:
Base-Base interactions energy: -1553.304
where: short stacking energy: -673.631
Base-Backbone interact. energy: -0.724
local terms energy: -653.162525
where:
bonds (distance) C4'-P energy: -117.660
bonds (distance) P-C4' energy: -119.279
flat angles C4'-P-C4' energy: -144.311
flat angles P-C4'-P energy: -77.288
tors. eta vs tors. theta energy: -194.625
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2129.693975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.693975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.693975 (E_RNA)
where:
Base-Base interactions energy: -1498.460
where: short stacking energy: -608.204
Base-Backbone interact. energy: -3.859
local terms energy: -627.374746
where:
bonds (distance) C4'-P energy: -105.659
bonds (distance) P-C4' energy: -114.016
flat angles C4'-P-C4' energy: -132.932
flat angles P-C4'-P energy: -92.246
tors. eta vs tors. theta energy: -182.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1886.162792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.162792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.162792 (E_RNA)
where:
Base-Base interactions energy: -1302.138
where: short stacking energy: -574.610
Base-Backbone interact. energy: -4.478
local terms energy: -579.546103
where:
bonds (distance) C4'-P energy: -118.688
bonds (distance) P-C4' energy: -101.628
flat angles C4'-P-C4' energy: -137.861
flat angles P-C4'-P energy: -79.364
tors. eta vs tors. theta energy: -142.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1485.710228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.710228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.710228 (E_RNA)
where:
Base-Base interactions energy: -981.239
where: short stacking energy: -426.631
Base-Backbone interact. energy: -3.147
local terms energy: -501.324491
where:
bonds (distance) C4'-P energy: -118.775
bonds (distance) P-C4' energy: -115.265
flat angles C4'-P-C4' energy: -120.385
flat angles P-C4'-P energy: -63.411
tors. eta vs tors. theta energy: -83.489
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: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1380.719020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.719020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.719020 (E_RNA)
where:
Base-Base interactions energy: -912.388
where: short stacking energy: -411.251
Base-Backbone interact. energy: 4.705
local terms energy: -473.036100
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -120.083
flat angles C4'-P-C4' energy: -112.957
flat angles P-C4'-P energy: -64.983
tors. eta vs tors. theta energy: -66.133
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: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -898.076048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.076048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.076048 (E_RNA)
where:
Base-Base interactions energy: -517.897
where: short stacking energy: -273.999
Base-Backbone interact. energy: 1.040
local terms energy: -381.219743
where:
bonds (distance) C4'-P energy: -82.269
bonds (distance) P-C4' energy: -115.785
flat angles C4'-P-C4' energy: -104.119
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -26.213
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: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2577.507360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.507360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.507360 (E_RNA)
where:
Base-Base interactions energy: -1803.525
where: short stacking energy: -740.244
Base-Backbone interact. energy: -1.296
local terms energy: -772.686922
where:
bonds (distance) C4'-P energy: -143.111
bonds (distance) P-C4' energy: -142.992
flat angles C4'-P-C4' energy: -168.352
flat angles P-C4'-P energy: -116.656
tors. eta vs tors. theta energy: -201.576
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: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2499.859024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.859024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.859024 (E_RNA)
where:
Base-Base interactions energy: -1763.120
where: short stacking energy: -747.041
Base-Backbone interact. energy: -0.657
local terms energy: -736.082652
where:
bonds (distance) C4'-P energy: -131.234
bonds (distance) P-C4' energy: -144.333
flat angles C4'-P-C4' energy: -143.014
flat angles P-C4'-P energy: -101.839
tors. eta vs tors. theta energy: -215.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2392.993839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.993839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.993839 (E_RNA)
where:
Base-Base interactions energy: -1703.276
where: short stacking energy: -697.723
Base-Backbone interact. energy: -1.117
local terms energy: -688.600873
where:
bonds (distance) C4'-P energy: -125.767
bonds (distance) P-C4' energy: -139.692
flat angles C4'-P-C4' energy: -144.127
flat angles P-C4'-P energy: -90.418
tors. eta vs tors. theta energy: -188.596
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: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2338.322975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.322975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.322975 (E_RNA)
where:
Base-Base interactions energy: -1673.972
where: short stacking energy: -676.195
Base-Backbone interact. energy: -2.208
local terms energy: -662.142971
where:
bonds (distance) C4'-P energy: -129.676
bonds (distance) P-C4' energy: -125.830
flat angles C4'-P-C4' energy: -134.903
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -184.356
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: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2158.276157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.276157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.276157 (E_RNA)
where:
Base-Base interactions energy: -1493.501
where: short stacking energy: -683.091
Base-Backbone interact. energy: -2.082
local terms energy: -662.692239
where:
bonds (distance) C4'-P energy: -113.263
bonds (distance) P-C4' energy: -123.582
flat angles C4'-P-C4' energy: -146.834
flat angles P-C4'-P energy: -82.643
tors. eta vs tors. theta energy: -196.370
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2155.570777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.570777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.570777 (E_RNA)
where:
Base-Base interactions energy: -1496.275
where: short stacking energy: -662.965
Base-Backbone interact. energy: 0.142
local terms energy: -659.437898
where:
bonds (distance) C4'-P energy: -122.764
bonds (distance) P-C4' energy: -117.832
flat angles C4'-P-C4' energy: -141.906
flat angles P-C4'-P energy: -94.467
tors. eta vs tors. theta energy: -182.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1872.529067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.529067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.529067 (E_RNA)
where:
Base-Base interactions energy: -1285.203
where: short stacking energy: -539.464
Base-Backbone interact. energy: -1.518
local terms energy: -585.807714
where:
bonds (distance) C4'-P energy: -108.968
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -144.672
flat angles P-C4'-P energy: -88.402
tors. eta vs tors. theta energy: -133.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1510.281048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.281048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.281048 (E_RNA)
where:
Base-Base interactions energy: -1019.046
where: short stacking energy: -447.649
Base-Backbone interact. energy: 1.823
local terms energy: -493.057749
where:
bonds (distance) C4'-P energy: -108.156
bonds (distance) P-C4' energy: -116.066
flat angles C4'-P-C4' energy: -114.625
flat angles P-C4'-P energy: -63.669
tors. eta vs tors. theta energy: -90.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1367.154722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.154722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.154722 (E_RNA)
where:
Base-Base interactions energy: -888.613
where: short stacking energy: -400.801
Base-Backbone interact. energy: 0.733
local terms energy: -479.275474
where:
bonds (distance) C4'-P energy: -109.715
bonds (distance) P-C4' energy: -126.814
flat angles C4'-P-C4' energy: -111.452
flat angles P-C4'-P energy: -68.599
tors. eta vs tors. theta energy: -62.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -916.341487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.341487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.341487 (E_RNA)
where:
Base-Base interactions energy: -509.593
where: short stacking energy: -266.431
Base-Backbone interact. energy: 2.089
local terms energy: -408.837795
where:
bonds (distance) C4'-P energy: -127.886
bonds (distance) P-C4' energy: -119.066
flat angles C4'-P-C4' energy: -90.400
flat angles P-C4'-P energy: -63.019
tors. eta vs tors. theta energy: -8.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2596.884022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.884022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.884022 (E_RNA)
where:
Base-Base interactions energy: -1823.398
where: short stacking energy: -742.889
Base-Backbone interact. energy: -5.855
local terms energy: -767.630902
where:
bonds (distance) C4'-P energy: -128.370
bonds (distance) P-C4' energy: -150.848
flat angles C4'-P-C4' energy: -171.378
flat angles P-C4'-P energy: -115.231
tors. eta vs tors. theta energy: -201.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2513.859701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.859701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.859701 (E_RNA)
where:
Base-Base interactions energy: -1769.585
where: short stacking energy: -740.708
Base-Backbone interact. energy: -5.192
local terms energy: -739.082465
where:
bonds (distance) C4'-P energy: -123.056
bonds (distance) P-C4' energy: -138.290
flat angles C4'-P-C4' energy: -159.566
flat angles P-C4'-P energy: -97.518
tors. eta vs tors. theta energy: -220.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2429.567862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.567862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.567862 (E_RNA)
where:
Base-Base interactions energy: -1730.279
where: short stacking energy: -693.935
Base-Backbone interact. energy: -3.908
local terms energy: -695.381273
where:
bonds (distance) C4'-P energy: -116.419
bonds (distance) P-C4' energy: -119.297
flat angles C4'-P-C4' energy: -154.864
flat angles P-C4'-P energy: -103.382
tors. eta vs tors. theta energy: -201.418
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: 415
Temperature: 1.050000
Total energy: -2329.195111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.195111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.195111 (E_RNA)
where:
Base-Base interactions energy: -1674.765
where: short stacking energy: -696.123
Base-Backbone interact. energy: -4.096
local terms energy: -650.333784
where:
bonds (distance) C4'-P energy: -108.504
bonds (distance) P-C4' energy: -116.871
flat angles C4'-P-C4' energy: -155.065
flat angles P-C4'-P energy: -81.651
tors. eta vs tors. theta energy: -188.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2133.219863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.219863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.219863 (E_RNA)
where:
Base-Base interactions energy: -1474.460
where: short stacking energy: -648.836
Base-Backbone interact. energy: 1.164
local terms energy: -659.923178
where:
bonds (distance) C4'-P energy: -108.005
bonds (distance) P-C4' energy: -134.288
flat angles C4'-P-C4' energy: -142.403
flat angles P-C4'-P energy: -100.531
tors. eta vs tors. theta energy: -174.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2164.961643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.961643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.961643 (E_RNA)
where:
Base-Base interactions energy: -1526.991
where: short stacking energy: -647.883
Base-Backbone interact. energy: -1.267
local terms energy: -636.702875
where:
bonds (distance) C4'-P energy: -118.120
bonds (distance) P-C4' energy: -119.052
flat angles C4'-P-C4' energy: -135.687
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -177.744
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: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1888.260823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.260823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.260823 (E_RNA)
where:
Base-Base interactions energy: -1322.475
where: short stacking energy: -545.356
Base-Backbone interact. energy: 4.004
local terms energy: -569.788996
where:
bonds (distance) C4'-P energy: -104.705
bonds (distance) P-C4' energy: -118.379
flat angles C4'-P-C4' energy: -131.362
flat angles P-C4'-P energy: -83.215
tors. eta vs tors. theta energy: -132.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1466.437114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.437114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.437114 (E_RNA)
where:
Base-Base interactions energy: -945.968
where: short stacking energy: -419.814
Base-Backbone interact. energy: -3.077
local terms energy: -517.392070
where:
bonds (distance) C4'-P energy: -109.800
bonds (distance) P-C4' energy: -118.999
flat angles C4'-P-C4' energy: -123.870
flat angles P-C4'-P energy: -88.354
tors. eta vs tors. theta energy: -76.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1324.788378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.788378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.788378 (E_RNA)
where:
Base-Base interactions energy: -855.157
where: short stacking energy: -376.927
Base-Backbone interact. energy: -2.968
local terms energy: -466.663321
where:
bonds (distance) C4'-P energy: -101.517
bonds (distance) P-C4' energy: -112.646
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -64.663
tors. eta vs tors. theta energy: -68.859
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: 10, replica: 8
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -963.767134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.767134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.767134 (E_RNA)
where:
Base-Base interactions energy: -563.979
where: short stacking energy: -279.735
Base-Backbone interact. energy: 4.434
local terms energy: -404.222434
where:
bonds (distance) C4'-P energy: -94.715
bonds (distance) P-C4' energy: -120.735
flat angles C4'-P-C4' energy: -83.233
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -26.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2587.447964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.447964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.447964 (E_RNA)
where:
Base-Base interactions energy: -1854.548
where: short stacking energy: -766.887
Base-Backbone interact. energy: -2.769
local terms energy: -730.130665
where:
bonds (distance) C4'-P energy: -132.317
bonds (distance) P-C4' energy: -136.562
flat angles C4'-P-C4' energy: -148.244
flat angles P-C4'-P energy: -103.206
tors. eta vs tors. theta energy: -209.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2542.874511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.874511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.874511 (E_RNA)
where:
Base-Base interactions energy: -1801.478
where: short stacking energy: -745.833
Base-Backbone interact. energy: -1.376
local terms energy: -740.020111
where:
bonds (distance) C4'-P energy: -130.336
bonds (distance) P-C4' energy: -146.131
flat angles C4'-P-C4' energy: -150.412
flat angles P-C4'-P energy: -101.915
tors. eta vs tors. theta energy: -211.227
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: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -2399.789271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.789271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.789271 (E_RNA)
where:
Base-Base interactions energy: -1698.106
where: short stacking energy: -694.867
Base-Backbone interact. energy: -2.342
local terms energy: -699.341621
where:
bonds (distance) C4'-P energy: -110.649
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -157.873
flat angles P-C4'-P energy: -104.363
tors. eta vs tors. theta energy: -192.690
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: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2386.698601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.698601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.698601 (E_RNA)
where:
Base-Base interactions energy: -1697.845
where: short stacking energy: -694.833
Base-Backbone interact. energy: 0.916
local terms energy: -689.768980
where:
bonds (distance) C4'-P energy: -142.564
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -140.445
flat angles P-C4'-P energy: -99.122
tors. eta vs tors. theta energy: -182.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2218.862675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.862675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.862675 (E_RNA)
where:
Base-Base interactions energy: -1566.294
where: short stacking energy: -649.463
Base-Backbone interact. energy: -0.160
local terms energy: -652.408651
where:
bonds (distance) C4'-P energy: -120.473
bonds (distance) P-C4' energy: -111.682
flat angles C4'-P-C4' energy: -137.123
flat angles P-C4'-P energy: -94.487
tors. eta vs tors. theta energy: -188.643
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: 416
Temperature: 1.150000
Total energy: -2117.362170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.362170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.362170 (E_RNA)
where:
Base-Base interactions energy: -1475.894
where: short stacking energy: -660.286
Base-Backbone interact. energy: -0.960
local terms energy: -640.507563
where:
bonds (distance) C4'-P energy: -109.435
bonds (distance) P-C4' energy: -118.930
flat angles C4'-P-C4' energy: -143.818
flat angles P-C4'-P energy: -77.789
tors. eta vs tors. theta energy: -190.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1873.698945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.698945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.698945 (E_RNA)
where:
Base-Base interactions energy: -1302.473
where: short stacking energy: -561.017
Base-Backbone interact. energy: -3.154
local terms energy: -568.071587
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -96.707
flat angles C4'-P-C4' energy: -136.617
flat angles P-C4'-P energy: -83.252
tors. eta vs tors. theta energy: -141.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1519.497812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.497812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.497812 (E_RNA)
where:
Base-Base interactions energy: -1006.743
where: short stacking energy: -467.049
Base-Backbone interact. energy: 1.587
local terms energy: -514.341711
where:
bonds (distance) C4'-P energy: -114.859
bonds (distance) P-C4' energy: -126.915
flat angles C4'-P-C4' energy: -117.725
flat angles P-C4'-P energy: -65.793
tors. eta vs tors. theta energy: -89.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1295.463495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.463495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.463495 (E_RNA)
where:
Base-Base interactions energy: -813.550
where: short stacking energy: -360.471
Base-Backbone interact. energy: -3.778
local terms energy: -478.134729
where:
bonds (distance) C4'-P energy: -78.489
bonds (distance) P-C4' energy: -123.376
flat angles C4'-P-C4' energy: -112.712
flat angles P-C4'-P energy: -86.838
tors. eta vs tors. theta energy: -76.720
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: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -983.755900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.755900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.755900 (E_RNA)
where:
Base-Base interactions energy: -570.191
where: short stacking energy: -295.190
Base-Backbone interact. energy: -4.417
local terms energy: -409.148231
where:
bonds (distance) C4'-P energy: -93.918
bonds (distance) P-C4' energy: -111.522
flat angles C4'-P-C4' energy: -92.174
flat angles P-C4'-P energy: -77.362
tors. eta vs tors. theta energy: -34.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2576.754932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.754932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.754932 (E_RNA)
where:
Base-Base interactions energy: -1815.478
where: short stacking energy: -742.781
Base-Backbone interact. energy: -1.716
local terms energy: -759.561268
where:
bonds (distance) C4'-P energy: -131.587
bonds (distance) P-C4' energy: -158.270
flat angles C4'-P-C4' energy: -154.732
flat angles P-C4'-P energy: -109.848
tors. eta vs tors. theta energy: -205.125
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: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2545.013714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.013714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.013714 (E_RNA)
where:
Base-Base interactions energy: -1795.021
where: short stacking energy: -772.633
Base-Backbone interact. energy: -0.863
local terms energy: -749.129874
where:
bonds (distance) C4'-P energy: -125.502
bonds (distance) P-C4' energy: -126.679
flat angles C4'-P-C4' energy: -160.794
flat angles P-C4'-P energy: -108.170
tors. eta vs tors. theta energy: -227.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -2398.921660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.921660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.921660 (E_RNA)
where:
Base-Base interactions energy: -1672.776
where: short stacking energy: -705.734
Base-Backbone interact. energy: -4.881
local terms energy: -721.264948
where:
bonds (distance) C4'-P energy: -131.490
bonds (distance) P-C4' energy: -113.234
flat angles C4'-P-C4' energy: -161.985
flat angles P-C4'-P energy: -115.323
tors. eta vs tors. theta energy: -199.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2373.953623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.953623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.953623 (E_RNA)
where:
Base-Base interactions energy: -1708.684
where: short stacking energy: -709.344
Base-Backbone interact. energy: 0.777
local terms energy: -666.046727
where:
bonds (distance) C4'-P energy: -134.366
bonds (distance) P-C4' energy: -108.615
flat angles C4'-P-C4' energy: -133.856
flat angles P-C4'-P energy: -96.768
tors. eta vs tors. theta energy: -192.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2179.853371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.853371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.853371 (E_RNA)
where:
Base-Base interactions energy: -1557.079
where: short stacking energy: -668.608
Base-Backbone interact. energy: 1.332
local terms energy: -624.107031
where:
bonds (distance) C4'-P energy: -95.612
bonds (distance) P-C4' energy: -123.370
flat angles C4'-P-C4' energy: -129.706
flat angles P-C4'-P energy: -96.030
tors. eta vs tors. theta energy: -179.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -2103.377094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.377094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.377094 (E_RNA)
where:
Base-Base interactions energy: -1454.839
where: short stacking energy: -634.689
Base-Backbone interact. energy: -0.442
local terms energy: -648.096340
where:
bonds (distance) C4'-P energy: -118.495
bonds (distance) P-C4' energy: -120.010
flat angles C4'-P-C4' energy: -140.755
flat angles P-C4'-P energy: -95.168
tors. eta vs tors. theta energy: -173.669
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1891.973490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.973490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.973490 (E_RNA)
where:
Base-Base interactions energy: -1281.402
where: short stacking energy: -555.378
Base-Backbone interact. energy: -2.828
local terms energy: -607.743896
where:
bonds (distance) C4'-P energy: -96.980
bonds (distance) P-C4' energy: -121.105
flat angles C4'-P-C4' energy: -130.955
flat angles P-C4'-P energy: -115.174
tors. eta vs tors. theta energy: -143.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1539.987554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.987554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.987554 (E_RNA)
where:
Base-Base interactions energy: -1012.826
where: short stacking energy: -446.149
Base-Backbone interact. energy: -2.920
local terms energy: -524.241702
where:
bonds (distance) C4'-P energy: -96.244
bonds (distance) P-C4' energy: -132.053
flat angles C4'-P-C4' energy: -127.736
flat angles P-C4'-P energy: -69.280
tors. eta vs tors. theta energy: -98.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1378.627586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.627586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.627586 (E_RNA)
where:
Base-Base interactions energy: -906.840
where: short stacking energy: -414.410
Base-Backbone interact. energy: -1.064
local terms energy: -470.723171
where:
bonds (distance) C4'-P energy: -99.067
bonds (distance) P-C4' energy: -104.357
flat angles C4'-P-C4' energy: -102.774
flat angles P-C4'-P energy: -71.519
tors. eta vs tors. theta energy: -93.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -933.702052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.702052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.702052 (E_RNA)
where:
Base-Base interactions energy: -515.203
where: short stacking energy: -285.324
Base-Backbone interact. energy: -0.393
local terms energy: -418.106045
where:
bonds (distance) C4'-P energy: -103.183
bonds (distance) P-C4' energy: -118.575
flat angles C4'-P-C4' energy: -98.595
flat angles P-C4'-P energy: -58.496
tors. eta vs tors. theta energy: -39.256
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: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2588.347477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.347477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.347477 (E_RNA)
where:
Base-Base interactions energy: -1830.792
where: short stacking energy: -751.416
Base-Backbone interact. energy: -2.284
local terms energy: -755.272322
where:
bonds (distance) C4'-P energy: -150.941
bonds (distance) P-C4' energy: -136.195
flat angles C4'-P-C4' energy: -156.769
flat angles P-C4'-P energy: -111.699
tors. eta vs tors. theta energy: -199.668
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: 418
Temperature: 0.950000
Total energy: -2558.854094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.854094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.854094 (E_RNA)
where:
Base-Base interactions energy: -1816.091
where: short stacking energy: -762.113
Base-Backbone interact. energy: -2.388
local terms energy: -740.374494
where:
bonds (distance) C4'-P energy: -131.589
bonds (distance) P-C4' energy: -131.262
flat angles C4'-P-C4' energy: -163.131
flat angles P-C4'-P energy: -87.724
tors. eta vs tors. theta energy: -226.669
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: 418
Temperature: 1.000000
Total energy: -2407.299522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.299522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.299522 (E_RNA)
where:
Base-Base interactions energy: -1689.156
where: short stacking energy: -685.166
Base-Backbone interact. energy: -1.362
local terms energy: -716.781151
where:
bonds (distance) C4'-P energy: -123.077
bonds (distance) P-C4' energy: -144.785
flat angles C4'-P-C4' energy: -157.899
flat angles P-C4'-P energy: -94.699
tors. eta vs tors. theta energy: -196.321
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: 3
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2368.438719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.438719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.438719 (E_RNA)
where:
Base-Base interactions energy: -1715.428
where: short stacking energy: -683.812
Base-Backbone interact. energy: -2.111
local terms energy: -650.899767
where:
bonds (distance) C4'-P energy: -93.132
bonds (distance) P-C4' energy: -128.625
flat angles C4'-P-C4' energy: -146.275
flat angles P-C4'-P energy: -102.416
tors. eta vs tors. theta energy: -180.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2212.522145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.522145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.522145 (E_RNA)
where:
Base-Base interactions energy: -1565.506
where: short stacking energy: -658.213
Base-Backbone interact. energy: -2.675
local terms energy: -644.340480
where:
bonds (distance) C4'-P energy: -119.977
bonds (distance) P-C4' energy: -124.686
flat angles C4'-P-C4' energy: -139.999
flat angles P-C4'-P energy: -82.904
tors. eta vs tors. theta energy: -176.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2110.209897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.209897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.209897 (E_RNA)
where:
Base-Base interactions energy: -1466.569
where: short stacking energy: -671.625
Base-Backbone interact. energy: -1.785
local terms energy: -641.856198
where:
bonds (distance) C4'-P energy: -116.007
bonds (distance) P-C4' energy: -114.904
flat angles C4'-P-C4' energy: -125.335
flat angles P-C4'-P energy: -88.575
tors. eta vs tors. theta energy: -197.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1864.504238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.504238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.504238 (E_RNA)
where:
Base-Base interactions energy: -1317.762
where: short stacking energy: -520.314
Base-Backbone interact. energy: -4.512
local terms energy: -542.229946
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -109.446
flat angles C4'-P-C4' energy: -115.515
flat angles P-C4'-P energy: -90.889
tors. eta vs tors. theta energy: -117.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1505.243077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.243077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.243077 (E_RNA)
where:
Base-Base interactions energy: -1008.906
where: short stacking energy: -437.385
Base-Backbone interact. energy: 0.172
local terms energy: -496.509228
where:
bonds (distance) C4'-P energy: -115.331
bonds (distance) P-C4' energy: -109.293
flat angles C4'-P-C4' energy: -108.884
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -91.462
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: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1410.471865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.471865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.471865 (E_RNA)
where:
Base-Base interactions energy: -949.922
where: short stacking energy: -420.766
Base-Backbone interact. energy: 0.125
local terms energy: -460.675234
where:
bonds (distance) C4'-P energy: -110.987
bonds (distance) P-C4' energy: -99.381
flat angles C4'-P-C4' energy: -125.195
flat angles P-C4'-P energy: -48.586
tors. eta vs tors. theta energy: -76.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -904.734136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.734136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.734136 (E_RNA)
where:
Base-Base interactions energy: -521.778
where: short stacking energy: -276.576
Base-Backbone interact. energy: -0.410
local terms energy: -382.546604
where:
bonds (distance) C4'-P energy: -108.657
bonds (distance) P-C4' energy: -122.338
flat angles C4'-P-C4' energy: -101.078
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -16.003
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: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2584.124200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.124200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.124200 (E_RNA)
where:
Base-Base interactions energy: -1794.153
where: short stacking energy: -741.226
Base-Backbone interact. energy: -2.294
local terms energy: -787.677834
where:
bonds (distance) C4'-P energy: -154.631
bonds (distance) P-C4' energy: -144.523
flat angles C4'-P-C4' energy: -167.761
flat angles P-C4'-P energy: -113.389
tors. eta vs tors. theta energy: -207.374
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: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2555.827522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.827522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.827522 (E_RNA)
where:
Base-Base interactions energy: -1780.841
where: short stacking energy: -785.328
Base-Backbone interact. energy: -0.050
local terms energy: -774.936216
where:
bonds (distance) C4'-P energy: -146.713
bonds (distance) P-C4' energy: -129.291
flat angles C4'-P-C4' energy: -159.391
flat angles P-C4'-P energy: -114.338
tors. eta vs tors. theta energy: -225.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2458.596331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.596331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.596331 (E_RNA)
where:
Base-Base interactions energy: -1726.048
where: short stacking energy: -714.773
Base-Backbone interact. energy: 0.194
local terms energy: -732.741524
where:
bonds (distance) C4'-P energy: -125.272
bonds (distance) P-C4' energy: -140.357
flat angles C4'-P-C4' energy: -161.485
flat angles P-C4'-P energy: -98.042
tors. eta vs tors. theta energy: -207.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2411.978248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.978248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.978248 (E_RNA)
where:
Base-Base interactions energy: -1710.612
where: short stacking energy: -708.749
Base-Backbone interact. energy: 0.382
local terms energy: -701.748396
where:
bonds (distance) C4'-P energy: -124.981
bonds (distance) P-C4' energy: -127.630
flat angles C4'-P-C4' energy: -155.135
flat angles P-C4'-P energy: -106.854
tors. eta vs tors. theta energy: -187.149
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: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2239.731085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.731085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.731085 (E_RNA)
where:
Base-Base interactions energy: -1583.358
where: short stacking energy: -678.661
Base-Backbone interact. energy: -2.533
local terms energy: -653.840409
where:
bonds (distance) C4'-P energy: -124.082
bonds (distance) P-C4' energy: -127.063
flat angles C4'-P-C4' energy: -144.550
flat angles P-C4'-P energy: -82.148
tors. eta vs tors. theta energy: -175.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -2123.797497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.797497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.797497 (E_RNA)
where:
Base-Base interactions energy: -1497.995
where: short stacking energy: -648.871
Base-Backbone interact. energy: -1.449
local terms energy: -624.354036
where:
bonds (distance) C4'-P energy: -114.806
bonds (distance) P-C4' energy: -97.815
flat angles C4'-P-C4' energy: -135.355
flat angles P-C4'-P energy: -87.414
tors. eta vs tors. theta energy: -188.963
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: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1869.257427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.257427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.257427 (E_RNA)
where:
Base-Base interactions energy: -1277.304
where: short stacking energy: -573.157
Base-Backbone interact. energy: -1.031
local terms energy: -590.922042
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -115.303
flat angles C4'-P-C4' energy: -142.709
flat angles P-C4'-P energy: -70.700
tors. eta vs tors. theta energy: -145.359
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: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1571.308054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.308054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.308054 (E_RNA)
where:
Base-Base interactions energy: -1039.997
where: short stacking energy: -446.294
Base-Backbone interact. energy: 0.485
local terms energy: -531.796686
where:
bonds (distance) C4'-P energy: -130.372
bonds (distance) P-C4' energy: -120.121
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -74.280
tors. eta vs tors. theta energy: -89.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1457.646104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.646104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.646104 (E_RNA)
where:
Base-Base interactions energy: -946.163
where: short stacking energy: -412.498
Base-Backbone interact. energy: -1.624
local terms energy: -509.858807
where:
bonds (distance) C4'-P energy: -102.624
bonds (distance) P-C4' energy: -106.342
flat angles C4'-P-C4' energy: -135.838
flat angles P-C4'-P energy: -77.432
tors. eta vs tors. theta energy: -87.623
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: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -918.802712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.802712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.802712 (E_RNA)
where:
Base-Base interactions energy: -504.263
where: short stacking energy: -300.530
Base-Backbone interact. energy: 3.407
local terms energy: -417.947030
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -109.860
flat angles C4'-P-C4' energy: -106.068
flat angles P-C4'-P energy: -53.574
tors. eta vs tors. theta energy: -16.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2582.113221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.113221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.113221 (E_RNA)
where:
Base-Base interactions energy: -1840.116
where: short stacking energy: -734.292
Base-Backbone interact. energy: -5.255
local terms energy: -736.742265
where:
bonds (distance) C4'-P energy: -140.890
bonds (distance) P-C4' energy: -128.181
flat angles C4'-P-C4' energy: -163.052
flat angles P-C4'-P energy: -104.529
tors. eta vs tors. theta energy: -200.091
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2533.321402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.321402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.321402 (E_RNA)
where:
Base-Base interactions energy: -1808.391
where: short stacking energy: -791.062
Base-Backbone interact. energy: 0.023
local terms energy: -724.952964
where:
bonds (distance) C4'-P energy: -118.791
bonds (distance) P-C4' energy: -138.406
flat angles C4'-P-C4' energy: -146.831
flat angles P-C4'-P energy: -95.694
tors. eta vs tors. theta energy: -225.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2445.164719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.164719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.164719 (E_RNA)
where:
Base-Base interactions energy: -1724.179
where: short stacking energy: -702.159
Base-Backbone interact. energy: -5.353
local terms energy: -715.632452
where:
bonds (distance) C4'-P energy: -128.623
bonds (distance) P-C4' energy: -131.444
flat angles C4'-P-C4' energy: -159.433
flat angles P-C4'-P energy: -99.067
tors. eta vs tors. theta energy: -197.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2373.321946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.321946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.321946 (E_RNA)
where:
Base-Base interactions energy: -1692.392
where: short stacking energy: -672.270
Base-Backbone interact. energy: 1.571
local terms energy: -682.500051
where:
bonds (distance) C4'-P energy: -125.773
bonds (distance) P-C4' energy: -117.797
flat angles C4'-P-C4' energy: -157.689
flat angles P-C4'-P energy: -101.263
tors. eta vs tors. theta energy: -179.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2252.468074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.468074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.468074 (E_RNA)
where:
Base-Base interactions energy: -1555.206
where: short stacking energy: -642.429
Base-Backbone interact. energy: -2.580
local terms energy: -694.681449
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -132.835
flat angles C4'-P-C4' energy: -149.209
flat angles P-C4'-P energy: -107.083
tors. eta vs tors. theta energy: -185.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -2163.287696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.287696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.287696 (E_RNA)
where:
Base-Base interactions energy: -1474.849
where: short stacking energy: -664.268
Base-Backbone interact. energy: -0.764
local terms energy: -687.674348
where:
bonds (distance) C4'-P energy: -132.711
bonds (distance) P-C4' energy: -112.064
flat angles C4'-P-C4' energy: -155.352
flat angles P-C4'-P energy: -94.192
tors. eta vs tors. theta energy: -193.355
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: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1858.208613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.208613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.208613 (E_RNA)
where:
Base-Base interactions energy: -1292.366
where: short stacking energy: -529.152
Base-Backbone interact. energy: -2.131
local terms energy: -563.712016
where:
bonds (distance) C4'-P energy: -105.694
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -124.716
flat angles P-C4'-P energy: -84.751
tors. eta vs tors. theta energy: -143.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1615.009947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.009947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.009947 (E_RNA)
where:
Base-Base interactions energy: -1067.474
where: short stacking energy: -465.189
Base-Backbone interact. energy: -1.915
local terms energy: -545.621685
where:
bonds (distance) C4'-P energy: -100.247
bonds (distance) P-C4' energy: -130.610
flat angles C4'-P-C4' energy: -131.495
flat angles P-C4'-P energy: -82.915
tors. eta vs tors. theta energy: -100.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1410.948363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.948363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.948363 (E_RNA)
where:
Base-Base interactions energy: -949.863
where: short stacking energy: -413.347
Base-Backbone interact. energy: 1.390
local terms energy: -462.474893
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -120.958
flat angles C4'-P-C4' energy: -105.812
flat angles P-C4'-P energy: -68.648
tors. eta vs tors. theta energy: -69.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -896.950095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.950095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.950095 (E_RNA)
where:
Base-Base interactions energy: -510.399
where: short stacking energy: -271.349
Base-Backbone interact. energy: 1.513
local terms energy: -388.063544
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -120.025
flat angles C4'-P-C4' energy: -97.986
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2616.534072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.534072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.534072 (E_RNA)
where:
Base-Base interactions energy: -1841.482
where: short stacking energy: -744.540
Base-Backbone interact. energy: 0.272
local terms energy: -775.323774
where:
bonds (distance) C4'-P energy: -146.184
bonds (distance) P-C4' energy: -139.188
flat angles C4'-P-C4' energy: -166.872
flat angles P-C4'-P energy: -109.574
tors. eta vs tors. theta energy: -213.506
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: 2, replica: 5
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2506.816797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.816797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.816797 (E_RNA)
where:
Base-Base interactions energy: -1728.929
where: short stacking energy: -751.102
Base-Backbone interact. energy: 1.821
local terms energy: -779.708723
where:
bonds (distance) C4'-P energy: -136.505
bonds (distance) P-C4' energy: -149.962
flat angles C4'-P-C4' energy: -164.588
flat angles P-C4'-P energy: -109.046
tors. eta vs tors. theta energy: -219.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2426.703052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.703052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.703052 (E_RNA)
where:
Base-Base interactions energy: -1708.880
where: short stacking energy: -708.521
Base-Backbone interact. energy: -2.424
local terms energy: -715.398985
where:
bonds (distance) C4'-P energy: -132.295
bonds (distance) P-C4' energy: -134.709
flat angles C4'-P-C4' energy: -148.926
flat angles P-C4'-P energy: -102.201
tors. eta vs tors. theta energy: -197.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2338.435425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.435425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.435425 (E_RNA)
where:
Base-Base interactions energy: -1650.722
where: short stacking energy: -671.138
Base-Backbone interact. energy: -4.783
local terms energy: -682.930682
where:
bonds (distance) C4'-P energy: -122.599
bonds (distance) P-C4' energy: -143.946
flat angles C4'-P-C4' energy: -141.567
flat angles P-C4'-P energy: -89.290
tors. eta vs tors. theta energy: -185.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2279.120701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.120701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.120701 (E_RNA)
where:
Base-Base interactions energy: -1602.326
where: short stacking energy: -669.461
Base-Backbone interact. energy: -1.503
local terms energy: -675.291192
where:
bonds (distance) C4'-P energy: -127.164
bonds (distance) P-C4' energy: -116.011
flat angles C4'-P-C4' energy: -143.719
flat angles P-C4'-P energy: -104.224
tors. eta vs tors. theta energy: -184.173
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: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -2180.336247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2180.336247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2180.336247 (E_RNA)
where:
Base-Base interactions energy: -1511.400
where: short stacking energy: -672.021
Base-Backbone interact. energy: 0.686
local terms energy: -669.622061
where:
bonds (distance) C4'-P energy: -118.566
bonds (distance) P-C4' energy: -126.246
flat angles C4'-P-C4' energy: -141.395
flat angles P-C4'-P energy: -90.668
tors. eta vs tors. theta energy: -192.748
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: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1830.753954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.753954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.753954 (E_RNA)
where:
Base-Base interactions energy: -1271.947
where: short stacking energy: -547.873
Base-Backbone interact. energy: -0.487
local terms energy: -558.319326
where:
bonds (distance) C4'-P energy: -115.848
bonds (distance) P-C4' energy: -106.296
flat angles C4'-P-C4' energy: -128.687
flat angles P-C4'-P energy: -63.878
tors. eta vs tors. theta energy: -143.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1558.458283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.458283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.458283 (E_RNA)
where:
Base-Base interactions energy: -1037.378
where: short stacking energy: -436.813
Base-Backbone interact. energy: 4.180
local terms energy: -525.260675
where:
bonds (distance) C4'-P energy: -109.700
bonds (distance) P-C4' energy: -128.037
flat angles C4'-P-C4' energy: -128.869
flat angles P-C4'-P energy: -75.971
tors. eta vs tors. theta energy: -82.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1375.445128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.445128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.445128 (E_RNA)
where:
Base-Base interactions energy: -894.334
where: short stacking energy: -367.917
Base-Backbone interact. energy: 4.518
local terms energy: -485.629859
where:
bonds (distance) C4'-P energy: -102.182
bonds (distance) P-C4' energy: -116.129
flat angles C4'-P-C4' energy: -110.848
flat angles P-C4'-P energy: -81.775
tors. eta vs tors. theta energy: -74.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -894.880429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.880429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.880429 (E_RNA)
where:
Base-Base interactions energy: -468.332
where: short stacking energy: -244.852
Base-Backbone interact. energy: -1.339
local terms energy: -425.209109
where:
bonds (distance) C4'-P energy: -117.169
bonds (distance) P-C4' energy: -133.999
flat angles C4'-P-C4' energy: -95.737
flat angles P-C4'-P energy: -55.930
tors. eta vs tors. theta energy: -22.375
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: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2623.127297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.127297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.127297 (E_RNA)
where:
Base-Base interactions energy: -1867.645
where: short stacking energy: -764.240
Base-Backbone interact. energy: -4.049
local terms energy: -751.433034
where:
bonds (distance) C4'-P energy: -138.160
bonds (distance) P-C4' energy: -147.343
flat angles C4'-P-C4' energy: -156.535
flat angles P-C4'-P energy: -100.594
tors. eta vs tors. theta energy: -208.801
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: 5
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2533.771063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.771063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.771063 (E_RNA)
where:
Base-Base interactions energy: -1795.483
where: short stacking energy: -774.441
Base-Backbone interact. energy: -1.128
local terms energy: -737.160175
where:
bonds (distance) C4'-P energy: -133.173
bonds (distance) P-C4' energy: -138.913
flat angles C4'-P-C4' energy: -148.484
flat angles P-C4'-P energy: -105.958
tors. eta vs tors. theta energy: -210.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -2403.763608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.763608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.763608 (E_RNA)
where:
Base-Base interactions energy: -1713.873
where: short stacking energy: -713.525
Base-Backbone interact. energy: -0.926
local terms energy: -688.964404
where:
bonds (distance) C4'-P energy: -124.980
bonds (distance) P-C4' energy: -131.187
flat angles C4'-P-C4' energy: -141.485
flat angles P-C4'-P energy: -90.436
tors. eta vs tors. theta energy: -200.876
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: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2375.247146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.247146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.247146 (E_RNA)
where:
Base-Base interactions energy: -1703.932
where: short stacking energy: -667.337
Base-Backbone interact. energy: -2.968
local terms energy: -668.346730
where:
bonds (distance) C4'-P energy: -135.522
bonds (distance) P-C4' energy: -127.308
flat angles C4'-P-C4' energy: -140.882
flat angles P-C4'-P energy: -83.920
tors. eta vs tors. theta energy: -180.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2291.274259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.274259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.274259 (E_RNA)
where:
Base-Base interactions energy: -1611.317
where: short stacking energy: -684.644
Base-Backbone interact. energy: -3.037
local terms energy: -676.920351
where:
bonds (distance) C4'-P energy: -118.254
bonds (distance) P-C4' energy: -124.331
flat angles C4'-P-C4' energy: -155.799
flat angles P-C4'-P energy: -90.185
tors. eta vs tors. theta energy: -188.351
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: 422
Temperature: 1.150000
Total energy: -2119.980637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.980637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.980637 (E_RNA)
where:
Base-Base interactions energy: -1464.091
where: short stacking energy: -648.846
Base-Backbone interact. energy: -1.752
local terms energy: -654.137469
where:
bonds (distance) C4'-P energy: -118.717
bonds (distance) P-C4' energy: -118.967
flat angles C4'-P-C4' energy: -132.144
flat angles P-C4'-P energy: -101.009
tors. eta vs tors. theta energy: -183.301
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: 9
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1817.700032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.700032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.700032 (E_RNA)
where:
Base-Base interactions energy: -1250.985
where: short stacking energy: -541.318
Base-Backbone interact. energy: -3.391
local terms energy: -563.323676
where:
bonds (distance) C4'-P energy: -90.160
bonds (distance) P-C4' energy: -127.222
flat angles C4'-P-C4' energy: -131.953
flat angles P-C4'-P energy: -75.926
tors. eta vs tors. theta energy: -138.062
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: 8, replica: 1
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1614.261462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.261462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.261462 (E_RNA)
where:
Base-Base interactions energy: -1115.339
where: short stacking energy: -478.512
Base-Backbone interact. energy: 3.162
local terms energy: -502.084405
where:
bonds (distance) C4'-P energy: -86.133
bonds (distance) P-C4' energy: -128.518
flat angles C4'-P-C4' energy: -126.725
flat angles P-C4'-P energy: -60.803
tors. eta vs tors. theta energy: -99.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1474.652481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.652481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.652481 (E_RNA)
where:
Base-Base interactions energy: -968.893
where: short stacking energy: -416.767
Base-Backbone interact. energy: 5.264
local terms energy: -511.023145
where:
bonds (distance) C4'-P energy: -120.685
bonds (distance) P-C4' energy: -110.891
flat angles C4'-P-C4' energy: -124.741
flat angles P-C4'-P energy: -82.021
tors. eta vs tors. theta energy: -72.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -888.424751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.424751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.424751 (E_RNA)
where:
Base-Base interactions energy: -509.281
where: short stacking energy: -265.093
Base-Backbone interact. energy: -2.405
local terms energy: -376.739036
where:
bonds (distance) C4'-P energy: -100.886
bonds (distance) P-C4' energy: -100.174
flat angles C4'-P-C4' energy: -96.973
flat angles P-C4'-P energy: -54.664
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2603.381382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.381382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.381382 (E_RNA)
where:
Base-Base interactions energy: -1850.145
where: short stacking energy: -752.970
Base-Backbone interact. energy: -1.769
local terms energy: -751.467710
where:
bonds (distance) C4'-P energy: -135.446
bonds (distance) P-C4' energy: -143.087
flat angles C4'-P-C4' energy: -160.276
flat angles P-C4'-P energy: -104.210
tors. eta vs tors. theta energy: -208.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2483.651903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.651903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.651903 (E_RNA)
where:
Base-Base interactions energy: -1740.944
where: short stacking energy: -739.635
Base-Backbone interact. energy: 3.717
local terms energy: -746.424825
where:
bonds (distance) C4'-P energy: -143.295
bonds (distance) P-C4' energy: -140.328
flat angles C4'-P-C4' energy: -153.946
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -203.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -2424.585182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.585182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.585182 (E_RNA)
where:
Base-Base interactions energy: -1674.536
where: short stacking energy: -695.231
Base-Backbone interact. energy: 0.332
local terms energy: -750.381375
where:
bonds (distance) C4'-P energy: -139.588
bonds (distance) P-C4' energy: -156.208
flat angles C4'-P-C4' energy: -132.904
flat angles P-C4'-P energy: -107.551
tors. eta vs tors. theta energy: -214.130
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: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2380.498794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.498794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.498794 (E_RNA)
where:
Base-Base interactions energy: -1682.657
where: short stacking energy: -689.098
Base-Backbone interact. energy: -1.992
local terms energy: -695.849599
where:
bonds (distance) C4'-P energy: -130.222
bonds (distance) P-C4' energy: -129.377
flat angles C4'-P-C4' energy: -151.959
flat angles P-C4'-P energy: -101.217
tors. eta vs tors. theta energy: -183.075
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: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2238.511216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.511216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.511216 (E_RNA)
where:
Base-Base interactions energy: -1590.634
where: short stacking energy: -671.863
Base-Backbone interact. energy: -1.079
local terms energy: -646.797815
where:
bonds (distance) C4'-P energy: -116.155
bonds (distance) P-C4' energy: -128.277
flat angles C4'-P-C4' energy: -135.528
flat angles P-C4'-P energy: -80.495
tors. eta vs tors. theta energy: -186.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -2125.026167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.026167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.026167 (E_RNA)
where:
Base-Base interactions energy: -1475.471
where: short stacking energy: -638.108
Base-Backbone interact. energy: -2.435
local terms energy: -647.120017
where:
bonds (distance) C4'-P energy: -103.925
bonds (distance) P-C4' energy: -112.396
flat angles C4'-P-C4' energy: -141.874
flat angles P-C4'-P energy: -100.749
tors. eta vs tors. theta energy: -188.176
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: 9
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1841.421192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.421192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.421192 (E_RNA)
where:
Base-Base interactions energy: -1276.176
where: short stacking energy: -545.828
Base-Backbone interact. energy: -4.509
local terms energy: -560.736168
where:
bonds (distance) C4'-P energy: -114.788
bonds (distance) P-C4' energy: -103.130
flat angles C4'-P-C4' energy: -134.472
flat angles P-C4'-P energy: -73.324
tors. eta vs tors. theta energy: -135.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1629.647029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.647029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.647029 (E_RNA)
where:
Base-Base interactions energy: -1106.220
where: short stacking energy: -483.514
Base-Backbone interact. energy: -2.989
local terms energy: -520.437852
where:
bonds (distance) C4'-P energy: -107.469
bonds (distance) P-C4' energy: -115.259
flat angles C4'-P-C4' energy: -116.204
flat angles P-C4'-P energy: -82.654
tors. eta vs tors. theta energy: -98.852
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: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1419.753114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.753114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.753114 (E_RNA)
where:
Base-Base interactions energy: -942.453
where: short stacking energy: -418.993
Base-Backbone interact. energy: -2.629
local terms energy: -474.671149
where:
bonds (distance) C4'-P energy: -99.633
bonds (distance) P-C4' energy: -109.075
flat angles C4'-P-C4' energy: -110.030
flat angles P-C4'-P energy: -83.103
tors. eta vs tors. theta energy: -72.830
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: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -918.769035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.769035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.769035 (E_RNA)
where:
Base-Base interactions energy: -494.306
where: short stacking energy: -256.629
Base-Backbone interact. energy: 2.593
local terms energy: -427.055932
where:
bonds (distance) C4'-P energy: -111.358
bonds (distance) P-C4' energy: -117.421
flat angles C4'-P-C4' energy: -106.719
flat angles P-C4'-P energy: -59.555
tors. eta vs tors. theta energy: -32.004
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: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2608.048444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.048444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.048444 (E_RNA)
where:
Base-Base interactions energy: -1857.908
where: short stacking energy: -767.387
Base-Backbone interact. energy: 0.121
local terms energy: -750.261526
where:
bonds (distance) C4'-P energy: -134.015
bonds (distance) P-C4' energy: -144.605
flat angles C4'-P-C4' energy: -153.783
flat angles P-C4'-P energy: -109.100
tors. eta vs tors. theta energy: -208.758
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: 424
Temperature: 0.950000
Total energy: -2522.215903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.215903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.215903 (E_RNA)
where:
Base-Base interactions energy: -1773.327
where: short stacking energy: -741.198
Base-Backbone interact. energy: -1.425
local terms energy: -747.464339
where:
bonds (distance) C4'-P energy: -139.771
bonds (distance) P-C4' energy: -136.255
flat angles C4'-P-C4' energy: -157.327
flat angles P-C4'-P energy: -102.530
tors. eta vs tors. theta energy: -211.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2400.375427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.375427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.375427 (E_RNA)
where:
Base-Base interactions energy: -1686.339
where: short stacking energy: -701.749
Base-Backbone interact. energy: -3.385
local terms energy: -710.651261
where:
bonds (distance) C4'-P energy: -126.509
bonds (distance) P-C4' energy: -130.424
flat angles C4'-P-C4' energy: -160.147
flat angles P-C4'-P energy: -95.036
tors. eta vs tors. theta energy: -198.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2367.476943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.476943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.476943 (E_RNA)
where:
Base-Base interactions energy: -1696.169
where: short stacking energy: -683.323
Base-Backbone interact. energy: -4.222
local terms energy: -667.086057
where:
bonds (distance) C4'-P energy: -119.796
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -145.142
flat angles P-C4'-P energy: -89.763
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: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2234.501796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.501796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.501796 (E_RNA)
where:
Base-Base interactions energy: -1575.137
where: short stacking energy: -678.849
Base-Backbone interact. energy: 3.580
local terms energy: -662.944357
where:
bonds (distance) C4'-P energy: -110.802
bonds (distance) P-C4' energy: -110.668
flat angles C4'-P-C4' energy: -153.185
flat angles P-C4'-P energy: -93.400
tors. eta vs tors. theta energy: -194.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -2145.130478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.130478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.130478 (E_RNA)
where:
Base-Base interactions energy: -1462.009
where: short stacking energy: -651.154
Base-Backbone interact. energy: -0.606
local terms energy: -682.514863
where:
bonds (distance) C4'-P energy: -133.065
bonds (distance) P-C4' energy: -122.896
flat angles C4'-P-C4' energy: -137.452
flat angles P-C4'-P energy: -97.525
tors. eta vs tors. theta energy: -191.578
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: 9
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1798.408067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.408067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.408067 (E_RNA)
where:
Base-Base interactions energy: -1213.050
where: short stacking energy: -524.503
Base-Backbone interact. energy: -3.217
local terms energy: -582.140493
where:
bonds (distance) C4'-P energy: -113.000
bonds (distance) P-C4' energy: -125.317
flat angles C4'-P-C4' energy: -131.062
flat angles P-C4'-P energy: -89.595
tors. eta vs tors. theta energy: -123.166
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: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1602.883166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.883166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.883166 (E_RNA)
where:
Base-Base interactions energy: -1108.757
where: short stacking energy: -454.253
Base-Backbone interact. energy: 0.538
local terms energy: -494.664300
where:
bonds (distance) C4'-P energy: -108.206
bonds (distance) P-C4' energy: -117.481
flat angles C4'-P-C4' energy: -122.714
flat angles P-C4'-P energy: -61.583
tors. eta vs tors. theta energy: -84.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1386.585463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.585463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.585463 (E_RNA)
where:
Base-Base interactions energy: -918.472
where: short stacking energy: -429.599
Base-Backbone interact. energy: 1.649
local terms energy: -469.762061
where:
bonds (distance) C4'-P energy: -109.929
bonds (distance) P-C4' energy: -118.017
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -38.202
tors. eta vs tors. theta energy: -86.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -915.972744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.972744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.972744 (E_RNA)
where:
Base-Base interactions energy: -517.415
where: short stacking energy: -285.933
Base-Backbone interact. energy: 0.944
local terms energy: -399.501868
where:
bonds (distance) C4'-P energy: -118.605
bonds (distance) P-C4' energy: -117.639
flat angles C4'-P-C4' energy: -84.519
flat angles P-C4'-P energy: -71.238
tors. eta vs tors. theta energy: -7.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2615.579308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.579308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.579308 (E_RNA)
where:
Base-Base interactions energy: -1860.043
where: short stacking energy: -743.251
Base-Backbone interact. energy: 1.827
local terms energy: -757.362862
where:
bonds (distance) C4'-P energy: -139.802
bonds (distance) P-C4' energy: -137.027
flat angles C4'-P-C4' energy: -171.077
flat angles P-C4'-P energy: -105.976
tors. eta vs tors. theta energy: -203.481
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2524.050557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.050557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.050557 (E_RNA)
where:
Base-Base interactions energy: -1791.160
where: short stacking energy: -772.122
Base-Backbone interact. energy: -0.690
local terms energy: -732.200799
where:
bonds (distance) C4'-P energy: -129.704
bonds (distance) P-C4' energy: -111.384
flat angles C4'-P-C4' energy: -166.840
flat angles P-C4'-P energy: -110.376
tors. eta vs tors. theta energy: -213.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2405.387134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.387134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.387134 (E_RNA)
where:
Base-Base interactions energy: -1680.935
where: short stacking energy: -704.684
Base-Backbone interact. energy: -5.511
local terms energy: -718.941068
where:
bonds (distance) C4'-P energy: -133.744
bonds (distance) P-C4' energy: -126.465
flat angles C4'-P-C4' energy: -156.067
flat angles P-C4'-P energy: -103.810
tors. eta vs tors. theta energy: -198.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2373.169668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.169668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.169668 (E_RNA)
where:
Base-Base interactions energy: -1730.847
where: short stacking energy: -723.146
Base-Backbone interact. energy: -5.149
local terms energy: -637.173015
where:
bonds (distance) C4'-P energy: -115.226
bonds (distance) P-C4' energy: -102.234
flat angles C4'-P-C4' energy: -151.705
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -186.333
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: 6
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2226.957744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.957744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.957744 (E_RNA)
where:
Base-Base interactions energy: -1588.575
where: short stacking energy: -649.136
Base-Backbone interact. energy: -0.202
local terms energy: -638.180612
where:
bonds (distance) C4'-P energy: -118.901
bonds (distance) P-C4' energy: -120.764
flat angles C4'-P-C4' energy: -132.495
flat angles P-C4'-P energy: -80.351
tors. eta vs tors. theta energy: -185.669
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: 425
Temperature: 1.150000
Total energy: -2137.611937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.611937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.611937 (E_RNA)
where:
Base-Base interactions energy: -1477.879
where: short stacking energy: -624.415
Base-Backbone interact. energy: 1.142
local terms energy: -660.875033
where:
bonds (distance) C4'-P energy: -117.584
bonds (distance) P-C4' energy: -112.849
flat angles C4'-P-C4' energy: -145.834
flat angles P-C4'-P energy: -104.578
tors. eta vs tors. theta energy: -180.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1830.997010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.997010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.997010 (E_RNA)
where:
Base-Base interactions energy: -1223.975
where: short stacking energy: -534.861
Base-Backbone interact. energy: -6.569
local terms energy: -600.453614
where:
bonds (distance) C4'-P energy: -107.165
bonds (distance) P-C4' energy: -130.911
flat angles C4'-P-C4' energy: -135.754
flat angles P-C4'-P energy: -74.804
tors. eta vs tors. theta energy: -151.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1655.156657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.156657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.156657 (E_RNA)
where:
Base-Base interactions energy: -1133.638
where: short stacking energy: -470.527
Base-Backbone interact. energy: 1.324
local terms energy: -522.842372
where:
bonds (distance) C4'-P energy: -121.968
bonds (distance) P-C4' energy: -113.482
flat angles C4'-P-C4' energy: -120.144
flat angles P-C4'-P energy: -59.128
tors. eta vs tors. theta energy: -108.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1429.612445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.612445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.612445 (E_RNA)
where:
Base-Base interactions energy: -929.354
where: short stacking energy: -429.262
Base-Backbone interact. energy: -0.028
local terms energy: -500.230001
where:
bonds (distance) C4'-P energy: -115.501
bonds (distance) P-C4' energy: -112.448
flat angles C4'-P-C4' energy: -112.693
flat angles P-C4'-P energy: -65.062
tors. eta vs tors. theta energy: -94.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -980.956324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.956324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.956324 (E_RNA)
where:
Base-Base interactions energy: -549.945
where: short stacking energy: -297.318
Base-Backbone interact. energy: -3.489
local terms energy: -427.522967
where:
bonds (distance) C4'-P energy: -96.918
bonds (distance) P-C4' energy: -125.568
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -71.901
tors. eta vs tors. theta energy: -28.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2566.375214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.375214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.375214 (E_RNA)
where:
Base-Base interactions energy: -1811.029
where: short stacking energy: -771.280
Base-Backbone interact. energy: -6.455
local terms energy: -748.891269
where:
bonds (distance) C4'-P energy: -126.835
bonds (distance) P-C4' energy: -131.575
flat angles C4'-P-C4' energy: -172.388
flat angles P-C4'-P energy: -107.324
tors. eta vs tors. theta energy: -210.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2578.242853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.242853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.242853 (E_RNA)
where:
Base-Base interactions energy: -1833.652
where: short stacking energy: -758.892
Base-Backbone interact. energy: -0.130
local terms energy: -744.461460
where:
bonds (distance) C4'-P energy: -124.325
bonds (distance) P-C4' energy: -146.117
flat angles C4'-P-C4' energy: -162.517
flat angles P-C4'-P energy: -112.164
tors. eta vs tors. theta energy: -199.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -2450.959164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.959164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.959164 (E_RNA)
where:
Base-Base interactions energy: -1768.412
where: short stacking energy: -746.432
Base-Backbone interact. energy: -3.531
local terms energy: -679.015888
where:
bonds (distance) C4'-P energy: -126.471
bonds (distance) P-C4' energy: -98.784
flat angles C4'-P-C4' energy: -148.408
flat angles P-C4'-P energy: -94.980
tors. eta vs tors. theta energy: -210.373
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: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2351.541682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.541682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.541682 (E_RNA)
where:
Base-Base interactions energy: -1683.255
where: short stacking energy: -669.047
Base-Backbone interact. energy: 0.816
local terms energy: -669.102885
where:
bonds (distance) C4'-P energy: -128.655
bonds (distance) P-C4' energy: -123.416
flat angles C4'-P-C4' energy: -148.297
flat angles P-C4'-P energy: -89.044
tors. eta vs tors. theta energy: -179.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2184.757177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.757177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.757177 (E_RNA)
where:
Base-Base interactions energy: -1536.243
where: short stacking energy: -671.865
Base-Backbone interact. energy: -2.411
local terms energy: -646.102868
where:
bonds (distance) C4'-P energy: -105.105
bonds (distance) P-C4' energy: -120.382
flat angles C4'-P-C4' energy: -147.255
flat angles P-C4'-P energy: -92.483
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: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -2167.671547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.671547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.671547 (E_RNA)
where:
Base-Base interactions energy: -1546.597
where: short stacking energy: -640.308
Base-Backbone interact. energy: -2.272
local terms energy: -618.802892
where:
bonds (distance) C4'-P energy: -105.115
bonds (distance) P-C4' energy: -120.458
flat angles C4'-P-C4' energy: -130.231
flat angles P-C4'-P energy: -92.864
tors. eta vs tors. theta energy: -170.134
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: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1859.636596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.636596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.636596 (E_RNA)
where:
Base-Base interactions energy: -1242.538
where: short stacking energy: -550.118
Base-Backbone interact. energy: -2.945
local terms energy: -614.153730
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -122.067
flat angles C4'-P-C4' energy: -144.811
flat angles P-C4'-P energy: -91.292
tors. eta vs tors. theta energy: -134.442
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: 8, replica: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1632.361789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.361789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.361789 (E_RNA)
where:
Base-Base interactions energy: -1119.696
where: short stacking energy: -486.292
Base-Backbone interact. energy: 0.781
local terms energy: -513.447506
where:
bonds (distance) C4'-P energy: -127.747
bonds (distance) P-C4' energy: -97.018
flat angles C4'-P-C4' energy: -108.638
flat angles P-C4'-P energy: -85.183
tors. eta vs tors. theta energy: -94.861
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: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1360.023805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.023805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.023805 (E_RNA)
where:
Base-Base interactions energy: -888.097
where: short stacking energy: -406.345
Base-Backbone interact. energy: -0.363
local terms energy: -471.564204
where:
bonds (distance) C4'-P energy: -120.599
bonds (distance) P-C4' energy: -115.577
flat angles C4'-P-C4' energy: -92.717
flat angles P-C4'-P energy: -73.090
tors. eta vs tors. theta energy: -69.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -1048.308302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.308302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.308302 (E_RNA)
where:
Base-Base interactions energy: -624.157
where: short stacking energy: -337.841
Base-Backbone interact. energy: -1.387
local terms energy: -422.764485
where:
bonds (distance) C4'-P energy: -96.901
bonds (distance) P-C4' energy: -103.881
flat angles C4'-P-C4' energy: -109.730
flat angles P-C4'-P energy: -76.247
tors. eta vs tors. theta energy: -36.007
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: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2594.630712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.630712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.630712 (E_RNA)
where:
Base-Base interactions energy: -1830.906
where: short stacking energy: -775.788
Base-Backbone interact. energy: -0.051
local terms energy: -763.673905
where:
bonds (distance) C4'-P energy: -136.815
bonds (distance) P-C4' energy: -135.011
flat angles C4'-P-C4' energy: -163.780
flat angles P-C4'-P energy: -118.371
tors. eta vs tors. theta energy: -209.697
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: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2555.827593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.827593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.827593 (E_RNA)
where:
Base-Base interactions energy: -1795.009
where: short stacking energy: -753.966
Base-Backbone interact. energy: 1.052
local terms energy: -761.871044
where:
bonds (distance) C4'-P energy: -134.743
bonds (distance) P-C4' energy: -152.026
flat angles C4'-P-C4' energy: -162.586
flat angles P-C4'-P energy: -111.279
tors. eta vs tors. theta energy: -201.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2459.885317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.885317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.885317 (E_RNA)
where:
Base-Base interactions energy: -1735.070
where: short stacking energy: -702.624
Base-Backbone interact. energy: -1.901
local terms energy: -722.914580
where:
bonds (distance) C4'-P energy: -139.517
bonds (distance) P-C4' energy: -135.513
flat angles C4'-P-C4' energy: -150.016
flat angles P-C4'-P energy: -99.458
tors. eta vs tors. theta energy: -198.410
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: 427
Temperature: 1.050000
Total energy: -2344.870194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.870194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.870194 (E_RNA)
where:
Base-Base interactions energy: -1653.534
where: short stacking energy: -666.664
Base-Backbone interact. energy: -1.751
local terms energy: -689.585645
where:
bonds (distance) C4'-P energy: -128.949
bonds (distance) P-C4' energy: -131.402
flat angles C4'-P-C4' energy: -153.012
flat angles P-C4'-P energy: -89.522
tors. eta vs tors. theta energy: -186.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2247.975326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.975326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.975326 (E_RNA)
where:
Base-Base interactions energy: -1593.198
where: short stacking energy: -705.874
Base-Backbone interact. energy: 3.411
local terms energy: -658.188299
where:
bonds (distance) C4'-P energy: -116.056
bonds (distance) P-C4' energy: -108.908
flat angles C4'-P-C4' energy: -141.101
flat angles P-C4'-P energy: -101.479
tors. eta vs tors. theta energy: -190.644
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -2111.978714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.978714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.978714 (E_RNA)
where:
Base-Base interactions energy: -1488.030
where: short stacking energy: -614.994
Base-Backbone interact. energy: -0.233
local terms energy: -623.716001
where:
bonds (distance) C4'-P energy: -117.300
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -140.581
flat angles P-C4'-P energy: -83.471
tors. eta vs tors. theta energy: -155.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1882.377014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.377014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.377014 (E_RNA)
where:
Base-Base interactions energy: -1297.406
where: short stacking energy: -575.937
Base-Backbone interact. energy: 1.601
local terms energy: -586.571979
where:
bonds (distance) C4'-P energy: -119.026
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -131.165
flat angles P-C4'-P energy: -89.110
tors. eta vs tors. theta energy: -145.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1711.914511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.914511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.914511 (E_RNA)
where:
Base-Base interactions energy: -1185.248
where: short stacking energy: -499.164
Base-Backbone interact. energy: 7.019
local terms energy: -533.685055
where:
bonds (distance) C4'-P energy: -111.713
bonds (distance) P-C4' energy: -102.306
flat angles C4'-P-C4' energy: -117.000
flat angles P-C4'-P energy: -89.270
tors. eta vs tors. theta energy: -113.395
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: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1327.777214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.777214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.777214 (E_RNA)
where:
Base-Base interactions energy: -868.437
where: short stacking energy: -364.178
Base-Backbone interact. energy: -3.601
local terms energy: -455.738594
where:
bonds (distance) C4'-P energy: -108.780
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -123.043
flat angles P-C4'-P energy: -59.348
tors. eta vs tors. theta energy: -56.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -1034.373543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.373543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.373543 (E_RNA)
where:
Base-Base interactions energy: -658.012
where: short stacking energy: -289.268
Base-Backbone interact. energy: 1.339
local terms energy: -377.700897
where:
bonds (distance) C4'-P energy: -101.582
bonds (distance) P-C4' energy: -85.472
flat angles C4'-P-C4' energy: -95.457
flat angles P-C4'-P energy: -58.974
tors. eta vs tors. theta energy: -36.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2581.778915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.778915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.778915 (E_RNA)
where:
Base-Base interactions energy: -1802.376
where: short stacking energy: -761.027
Base-Backbone interact. energy: -3.227
local terms energy: -776.175478
where:
bonds (distance) C4'-P energy: -144.414
bonds (distance) P-C4' energy: -141.797
flat angles C4'-P-C4' energy: -158.422
flat angles P-C4'-P energy: -112.580
tors. eta vs tors. theta energy: -218.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2565.103169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.103169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.103169 (E_RNA)
where:
Base-Base interactions energy: -1831.298
where: short stacking energy: -738.304
Base-Backbone interact. energy: -3.669
local terms energy: -730.136153
where:
bonds (distance) C4'-P energy: -116.358
bonds (distance) P-C4' energy: -146.175
flat angles C4'-P-C4' energy: -158.510
flat angles P-C4'-P energy: -105.162
tors. eta vs tors. theta energy: -203.931
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: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2432.083030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.083030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.083030 (E_RNA)
where:
Base-Base interactions energy: -1742.035
where: short stacking energy: -736.622
Base-Backbone interact. energy: 0.665
local terms energy: -690.713832
where:
bonds (distance) C4'-P energy: -117.434
bonds (distance) P-C4' energy: -130.021
flat angles C4'-P-C4' energy: -140.095
flat angles P-C4'-P energy: -98.146
tors. eta vs tors. theta energy: -205.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2329.729657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.729657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.729657 (E_RNA)
where:
Base-Base interactions energy: -1689.130
where: short stacking energy: -670.589
Base-Backbone interact. energy: -3.544
local terms energy: -637.056303
where:
bonds (distance) C4'-P energy: -121.394
bonds (distance) P-C4' energy: -108.693
flat angles C4'-P-C4' energy: -136.370
flat angles P-C4'-P energy: -94.171
tors. eta vs tors. theta energy: -176.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2267.441517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.441517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.441517 (E_RNA)
where:
Base-Base interactions energy: -1610.482
where: short stacking energy: -685.923
Base-Backbone interact. energy: 0.014
local terms energy: -656.973332
where:
bonds (distance) C4'-P energy: -98.042
bonds (distance) P-C4' energy: -104.639
flat angles C4'-P-C4' energy: -163.808
flat angles P-C4'-P energy: -86.311
tors. eta vs tors. theta energy: -204.174
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: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -2125.230420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.230420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.230420 (E_RNA)
where:
Base-Base interactions energy: -1541.664
where: short stacking energy: -650.714
Base-Backbone interact. energy: 9.265
local terms energy: -592.831504
where:
bonds (distance) C4'-P energy: -108.397
bonds (distance) P-C4' energy: -107.301
flat angles C4'-P-C4' energy: -126.217
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -179.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1906.856896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.856896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.856896 (E_RNA)
where:
Base-Base interactions energy: -1308.779
where: short stacking energy: -551.934
Base-Backbone interact. energy: 0.527
local terms energy: -598.604452
where:
bonds (distance) C4'-P energy: -115.208
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -135.064
flat angles P-C4'-P energy: -89.461
tors. eta vs tors. theta energy: -135.617
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: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1667.449214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.449214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.449214 (E_RNA)
where:
Base-Base interactions energy: -1171.093
where: short stacking energy: -488.610
Base-Backbone interact. energy: 0.951
local terms energy: -497.307112
where:
bonds (distance) C4'-P energy: -108.865
bonds (distance) P-C4' energy: -114.245
flat angles C4'-P-C4' energy: -117.935
flat angles P-C4'-P energy: -76.698
tors. eta vs tors. theta energy: -79.564
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: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1323.464234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.464234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.464234 (E_RNA)
where:
Base-Base interactions energy: -861.722
where: short stacking energy: -385.272
Base-Backbone interact. energy: 3.661
local terms energy: -465.403183
where:
bonds (distance) C4'-P energy: -91.360
bonds (distance) P-C4' energy: -119.364
flat angles C4'-P-C4' energy: -121.012
flat angles P-C4'-P energy: -56.887
tors. eta vs tors. theta energy: -76.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -1014.534735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.534735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.534735 (E_RNA)
where:
Base-Base interactions energy: -622.180
where: short stacking energy: -265.781
Base-Backbone interact. energy: 0.049
local terms energy: -392.403735
where:
bonds (distance) C4'-P energy: -100.500
bonds (distance) P-C4' energy: -114.332
flat angles C4'-P-C4' energy: -99.546
flat angles P-C4'-P energy: -69.702
tors. eta vs tors. theta energy: -8.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2600.646778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.646778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.646778 (E_RNA)
where:
Base-Base interactions energy: -1821.992
where: short stacking energy: -775.231
Base-Backbone interact. energy: -0.070
local terms energy: -778.584671
where:
bonds (distance) C4'-P energy: -127.718
bonds (distance) P-C4' energy: -152.531
flat angles C4'-P-C4' energy: -159.394
flat angles P-C4'-P energy: -112.812
tors. eta vs tors. theta energy: -226.130
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2559.426969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.426969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.426969 (E_RNA)
where:
Base-Base interactions energy: -1832.596
where: short stacking energy: -745.027
Base-Backbone interact. energy: -1.197
local terms energy: -725.634869
where:
bonds (distance) C4'-P energy: -136.319
bonds (distance) P-C4' energy: -124.860
flat angles C4'-P-C4' energy: -157.670
flat angles P-C4'-P energy: -100.409
tors. eta vs tors. theta energy: -206.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2432.175949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.175949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.175949 (E_RNA)
where:
Base-Base interactions energy: -1689.563
where: short stacking energy: -718.366
Base-Backbone interact. energy: -5.090
local terms energy: -737.522783
where:
bonds (distance) C4'-P energy: -134.943
bonds (distance) P-C4' energy: -131.704
flat angles C4'-P-C4' energy: -154.712
flat angles P-C4'-P energy: -114.283
tors. eta vs tors. theta energy: -201.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2359.651443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.651443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.651443 (E_RNA)
where:
Base-Base interactions energy: -1683.649
where: short stacking energy: -669.363
Base-Backbone interact. energy: -2.519
local terms energy: -673.483407
where:
bonds (distance) C4'-P energy: -122.537
bonds (distance) P-C4' energy: -137.001
flat angles C4'-P-C4' energy: -147.659
flat angles P-C4'-P energy: -88.479
tors. eta vs tors. theta energy: -177.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2264.892317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.892317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.892317 (E_RNA)
where:
Base-Base interactions energy: -1569.560
where: short stacking energy: -700.050
Base-Backbone interact. energy: -0.407
local terms energy: -694.924398
where:
bonds (distance) C4'-P energy: -126.472
bonds (distance) P-C4' energy: -125.034
flat angles C4'-P-C4' energy: -146.244
flat angles P-C4'-P energy: -92.570
tors. eta vs tors. theta energy: -204.604
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: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -2119.772595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.772595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.772595 (E_RNA)
where:
Base-Base interactions energy: -1505.039
where: short stacking energy: -628.545
Base-Backbone interact. energy: -1.022
local terms energy: -613.711265
where:
bonds (distance) C4'-P energy: -114.820
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -139.351
flat angles P-C4'-P energy: -76.272
tors. eta vs tors. theta energy: -164.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1983.168604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.168604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.168604 (E_RNA)
where:
Base-Base interactions energy: -1357.157
where: short stacking energy: -589.829
Base-Backbone interact. energy: -2.323
local terms energy: -623.688622
where:
bonds (distance) C4'-P energy: -108.703
bonds (distance) P-C4' energy: -136.422
flat angles C4'-P-C4' energy: -140.890
flat angles P-C4'-P energy: -86.502
tors. eta vs tors. theta energy: -151.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1582.568050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.568050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.568050 (E_RNA)
where:
Base-Base interactions energy: -1077.752
where: short stacking energy: -471.264
Base-Backbone interact. energy: 1.615
local terms energy: -506.430833
where:
bonds (distance) C4'-P energy: -119.466
bonds (distance) P-C4' energy: -93.475
flat angles C4'-P-C4' energy: -124.600
flat angles P-C4'-P energy: -67.086
tors. eta vs tors. theta energy: -101.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1400.068287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.068287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.068287 (E_RNA)
where:
Base-Base interactions energy: -912.178
where: short stacking energy: -418.436
Base-Backbone interact. energy: -4.058
local terms energy: -483.832293
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -124.610
flat angles C4'-P-C4' energy: -122.855
flat angles P-C4'-P energy: -61.172
tors. eta vs tors. theta energy: -60.141
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: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -973.126608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.126608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.126608 (E_RNA)
where:
Base-Base interactions energy: -597.815
where: short stacking energy: -294.752
Base-Backbone interact. energy: -0.295
local terms energy: -375.016140
where:
bonds (distance) C4'-P energy: -120.292
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -91.406
flat angles P-C4'-P energy: -50.056
tors. eta vs tors. theta energy: -7.719
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: 5
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2592.871809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.871809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.871809 (E_RNA)
where:
Base-Base interactions energy: -1826.207
where: short stacking energy: -788.258
Base-Backbone interact. energy: -2.644
local terms energy: -764.020675
where:
bonds (distance) C4'-P energy: -119.374
bonds (distance) P-C4' energy: -147.535
flat angles C4'-P-C4' energy: -151.598
flat angles P-C4'-P energy: -125.213
tors. eta vs tors. theta energy: -220.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2573.749078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.749078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.749078 (E_RNA)
where:
Base-Base interactions energy: -1825.290
where: short stacking energy: -723.820
Base-Backbone interact. energy: -2.128
local terms energy: -746.331030
where:
bonds (distance) C4'-P energy: -143.399
bonds (distance) P-C4' energy: -131.768
flat angles C4'-P-C4' energy: -153.845
flat angles P-C4'-P energy: -109.655
tors. eta vs tors. theta energy: -207.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2405.663062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.663062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.663062 (E_RNA)
where:
Base-Base interactions energy: -1679.544
where: short stacking energy: -684.230
Base-Backbone interact. energy: -2.707
local terms energy: -723.411825
where:
bonds (distance) C4'-P energy: -137.115
bonds (distance) P-C4' energy: -127.282
flat angles C4'-P-C4' energy: -153.833
flat angles P-C4'-P energy: -108.116
tors. eta vs tors. theta energy: -197.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2344.317662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.317662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.317662 (E_RNA)
where:
Base-Base interactions energy: -1701.375
where: short stacking energy: -685.843
Base-Backbone interact. energy: 0.966
local terms energy: -643.908976
where:
bonds (distance) C4'-P energy: -95.695
bonds (distance) P-C4' energy: -138.120
flat angles C4'-P-C4' energy: -140.443
flat angles P-C4'-P energy: -89.166
tors. eta vs tors. theta energy: -180.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2321.926486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.926486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.926486 (E_RNA)
where:
Base-Base interactions energy: -1622.366
where: short stacking energy: -706.676
Base-Backbone interact. energy: -1.726
local terms energy: -697.835116
where:
bonds (distance) C4'-P energy: -101.898
bonds (distance) P-C4' energy: -133.574
flat angles C4'-P-C4' energy: -162.604
flat angles P-C4'-P energy: -95.686
tors. eta vs tors. theta energy: -204.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -2083.095857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.095857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.095857 (E_RNA)
where:
Base-Base interactions energy: -1461.844
where: short stacking energy: -632.061
Base-Backbone interact. energy: 0.622
local terms energy: -621.873071
where:
bonds (distance) C4'-P energy: -129.162
bonds (distance) P-C4' energy: -107.624
flat angles C4'-P-C4' energy: -131.554
flat angles P-C4'-P energy: -86.080
tors. eta vs tors. theta energy: -167.453
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: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1917.345238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.345238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.345238 (E_RNA)
where:
Base-Base interactions energy: -1350.403
where: short stacking energy: -578.531
Base-Backbone interact. energy: 8.496
local terms energy: -575.438529
where:
bonds (distance) C4'-P energy: -99.198
bonds (distance) P-C4' energy: -121.309
flat angles C4'-P-C4' energy: -143.059
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -142.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1574.607813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.607813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.607813 (E_RNA)
where:
Base-Base interactions energy: -1051.422
where: short stacking energy: -433.728
Base-Backbone interact. energy: 0.630
local terms energy: -523.816307
where:
bonds (distance) C4'-P energy: -104.659
bonds (distance) P-C4' energy: -121.300
flat angles C4'-P-C4' energy: -122.898
flat angles P-C4'-P energy: -86.185
tors. eta vs tors. theta energy: -88.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1389.601022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.601022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.601022 (E_RNA)
where:
Base-Base interactions energy: -895.921
where: short stacking energy: -393.448
Base-Backbone interact. energy: -1.206
local terms energy: -492.473537
where:
bonds (distance) C4'-P energy: -112.320
bonds (distance) P-C4' energy: -126.155
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -79.798
tors. eta vs tors. theta energy: -63.454
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: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -955.030532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.030532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.030532 (E_RNA)
where:
Base-Base interactions energy: -567.160
where: short stacking energy: -276.316
Base-Backbone interact. energy: -0.350
local terms energy: -387.520807
where:
bonds (distance) C4'-P energy: -87.440
bonds (distance) P-C4' energy: -130.824
flat angles C4'-P-C4' energy: -83.010
flat angles P-C4'-P energy: -67.005
tors. eta vs tors. theta energy: -19.241
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: 5
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2585.793638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.793638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.793638 (E_RNA)
where:
Base-Base interactions energy: -1834.412
where: short stacking energy: -782.177
Base-Backbone interact. energy: -1.345
local terms energy: -750.037102
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -137.792
flat angles C4'-P-C4' energy: -159.461
flat angles P-C4'-P energy: -95.474
tors. eta vs tors. theta energy: -226.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2547.966335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.966335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.966335 (E_RNA)
where:
Base-Base interactions energy: -1811.467
where: short stacking energy: -712.188
Base-Backbone interact. energy: 3.779
local terms energy: -740.277811
where:
bonds (distance) C4'-P energy: -129.580
bonds (distance) P-C4' energy: -133.911
flat angles C4'-P-C4' energy: -165.155
flat angles P-C4'-P energy: -106.699
tors. eta vs tors. theta energy: -204.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2471.868489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2471.868489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2471.868489 (E_RNA)
where:
Base-Base interactions energy: -1730.020
where: short stacking energy: -735.916
Base-Backbone interact. energy: -3.892
local terms energy: -737.956631
where:
bonds (distance) C4'-P energy: -118.634
bonds (distance) P-C4' energy: -138.918
flat angles C4'-P-C4' energy: -155.009
flat angles P-C4'-P energy: -111.463
tors. eta vs tors. theta energy: -213.933
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: 3
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2347.872689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.872689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.872689 (E_RNA)
where:
Base-Base interactions energy: -1679.522
where: short stacking energy: -688.919
Base-Backbone interact. energy: -0.222
local terms energy: -668.128978
where:
bonds (distance) C4'-P energy: -120.656
bonds (distance) P-C4' energy: -145.211
flat angles C4'-P-C4' energy: -136.005
flat angles P-C4'-P energy: -97.189
tors. eta vs tors. theta energy: -169.068
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: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2305.327280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.327280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.327280 (E_RNA)
where:
Base-Base interactions energy: -1608.696
where: short stacking energy: -713.221
Base-Backbone interact. energy: 0.483
local terms energy: -697.114065
where:
bonds (distance) C4'-P energy: -114.511
bonds (distance) P-C4' energy: -122.628
flat angles C4'-P-C4' energy: -147.787
flat angles P-C4'-P energy: -97.394
tors. eta vs tors. theta energy: -214.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -2128.892404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.892404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.892404 (E_RNA)
where:
Base-Base interactions energy: -1476.459
where: short stacking energy: -625.803
Base-Backbone interact. energy: -2.156
local terms energy: -650.276956
where:
bonds (distance) C4'-P energy: -119.610
bonds (distance) P-C4' energy: -119.184
flat angles C4'-P-C4' energy: -143.202
flat angles P-C4'-P energy: -94.578
tors. eta vs tors. theta energy: -173.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1914.655281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.655281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.655281 (E_RNA)
where:
Base-Base interactions energy: -1355.616
where: short stacking energy: -541.705
Base-Backbone interact. energy: -1.464
local terms energy: -557.575494
where:
bonds (distance) C4'-P energy: -99.770
bonds (distance) P-C4' energy: -115.394
flat angles C4'-P-C4' energy: -119.647
flat angles P-C4'-P energy: -99.026
tors. eta vs tors. theta energy: -123.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1635.528120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.528120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.528120 (E_RNA)
where:
Base-Base interactions energy: -1089.954
where: short stacking energy: -468.437
Base-Backbone interact. energy: -1.009
local terms energy: -544.564821
where:
bonds (distance) C4'-P energy: -134.823
bonds (distance) P-C4' energy: -136.607
flat angles C4'-P-C4' energy: -116.265
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -95.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1294.658475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.658475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.658475 (E_RNA)
where:
Base-Base interactions energy: -827.636
where: short stacking energy: -390.415
Base-Backbone interact. energy: 4.380
local terms energy: -471.402439
where:
bonds (distance) C4'-P energy: -106.053
bonds (distance) P-C4' energy: -108.227
flat angles C4'-P-C4' energy: -122.119
flat angles P-C4'-P energy: -61.790
tors. eta vs tors. theta energy: -73.213
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: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -961.262980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.262980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.262980 (E_RNA)
where:
Base-Base interactions energy: -550.823
where: short stacking energy: -268.669
Base-Backbone interact. energy: -0.843
local terms energy: -409.596772
where:
bonds (distance) C4'-P energy: -121.753
bonds (distance) P-C4' energy: -115.287
flat angles C4'-P-C4' energy: -106.702
flat angles P-C4'-P energy: -50.016
tors. eta vs tors. theta energy: -15.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2597.495992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.495992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.495992 (E_RNA)
where:
Base-Base interactions energy: -1833.142
where: short stacking energy: -764.518
Base-Backbone interact. energy: -3.697
local terms energy: -760.656820
where:
bonds (distance) C4'-P energy: -143.611
bonds (distance) P-C4' energy: -132.311
flat angles C4'-P-C4' energy: -161.824
flat angles P-C4'-P energy: -105.516
tors. eta vs tors. theta energy: -217.396
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2552.187950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.187950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.187950 (E_RNA)
where:
Base-Base interactions energy: -1806.441
where: short stacking energy: -735.091
Base-Backbone interact. energy: -2.319
local terms energy: -743.428464
where:
bonds (distance) C4'-P energy: -129.959
bonds (distance) P-C4' energy: -141.072
flat angles C4'-P-C4' energy: -164.160
flat angles P-C4'-P energy: -101.181
tors. eta vs tors. theta energy: -207.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2450.546295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.546295 (E_RNA)
where:
Base-Base interactions energy: -1725.219
where: short stacking energy: -720.056
Base-Backbone interact. energy: -5.750
local terms energy: -719.577611
where:
bonds (distance) C4'-P energy: -126.414
bonds (distance) P-C4' energy: -126.838
flat angles C4'-P-C4' energy: -155.741
flat angles P-C4'-P energy: -95.116
tors. eta vs tors. theta energy: -215.469
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: 432
Temperature: 1.050000
Total energy: -2316.052356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.052356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.052356 (E_RNA)
where:
Base-Base interactions energy: -1649.023
where: short stacking energy: -664.396
Base-Backbone interact. energy: 1.083
local terms energy: -668.113125
where:
bonds (distance) C4'-P energy: -125.799
bonds (distance) P-C4' energy: -131.624
flat angles C4'-P-C4' energy: -141.419
flat angles P-C4'-P energy: -92.502
tors. eta vs tors. theta energy: -176.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2268.357617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.357617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.357617 (E_RNA)
where:
Base-Base interactions energy: -1570.506
where: short stacking energy: -676.338
Base-Backbone interact. energy: -1.902
local terms energy: -695.949327
where:
bonds (distance) C4'-P energy: -134.874
bonds (distance) P-C4' energy: -120.497
flat angles C4'-P-C4' energy: -140.880
flat angles P-C4'-P energy: -93.159
tors. eta vs tors. theta energy: -206.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -2150.909565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.909565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.909565 (E_RNA)
where:
Base-Base interactions energy: -1530.776
where: short stacking energy: -637.050
Base-Backbone interact. energy: 3.930
local terms energy: -624.063518
where:
bonds (distance) C4'-P energy: -119.966
bonds (distance) P-C4' energy: -118.679
flat angles C4'-P-C4' energy: -137.871
flat angles P-C4'-P energy: -78.871
tors. eta vs tors. theta energy: -168.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1919.439113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.439113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.439113 (E_RNA)
where:
Base-Base interactions energy: -1340.576
where: short stacking energy: -552.763
Base-Backbone interact. energy: -2.827
local terms energy: -576.035647
where:
bonds (distance) C4'-P energy: -112.657
bonds (distance) P-C4' energy: -108.537
flat angles C4'-P-C4' energy: -129.285
flat angles P-C4'-P energy: -95.567
tors. eta vs tors. theta energy: -129.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1649.664673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.664673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.664673 (E_RNA)
where:
Base-Base interactions energy: -1124.260
where: short stacking energy: -477.229
Base-Backbone interact. energy: 0.119
local terms energy: -525.524277
where:
bonds (distance) C4'-P energy: -103.270
bonds (distance) P-C4' energy: -108.514
flat angles C4'-P-C4' energy: -123.456
flat angles P-C4'-P energy: -90.658
tors. eta vs tors. theta energy: -99.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1306.245400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.245400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.245400 (E_RNA)
where:
Base-Base interactions energy: -870.348
where: short stacking energy: -382.887
Base-Backbone interact. energy: 2.161
local terms energy: -438.058338
where:
bonds (distance) C4'-P energy: -94.076
bonds (distance) P-C4' energy: -118.565
flat angles C4'-P-C4' energy: -81.751
flat angles P-C4'-P energy: -61.710
tors. eta vs tors. theta energy: -81.957
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: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -1009.957908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.957908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.957908 (E_RNA)
where:
Base-Base interactions energy: -620.638
where: short stacking energy: -298.571
Base-Backbone interact. energy: 1.637
local terms energy: -390.956631
where:
bonds (distance) C4'-P energy: -105.147
bonds (distance) P-C4' energy: -97.553
flat angles C4'-P-C4' energy: -117.473
flat angles P-C4'-P energy: -55.851
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2570.523245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.523245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.523245 (E_RNA)
where:
Base-Base interactions energy: -1800.322
where: short stacking energy: -746.085
Base-Backbone interact. energy: -2.682
local terms energy: -767.519615
where:
bonds (distance) C4'-P energy: -145.690
bonds (distance) P-C4' energy: -143.762
flat angles C4'-P-C4' energy: -150.642
flat angles P-C4'-P energy: -110.735
tors. eta vs tors. theta energy: -216.691
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: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2541.423116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.423116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.423116 (E_RNA)
where:
Base-Base interactions energy: -1808.580
where: short stacking energy: -743.418
Base-Backbone interact. energy: 1.494
local terms energy: -734.336434
where:
bonds (distance) C4'-P energy: -131.621
bonds (distance) P-C4' energy: -145.824
flat angles C4'-P-C4' energy: -161.623
flat angles P-C4'-P energy: -95.783
tors. eta vs tors. theta energy: -199.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2434.506492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.506492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.506492 (E_RNA)
where:
Base-Base interactions energy: -1731.632
where: short stacking energy: -711.367
Base-Backbone interact. energy: -1.720
local terms energy: -701.153795
where:
bonds (distance) C4'-P energy: -123.361
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -159.027
flat angles P-C4'-P energy: -105.383
tors. eta vs tors. theta energy: -202.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2361.603244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.603244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.603244 (E_RNA)
where:
Base-Base interactions energy: -1624.444
where: short stacking energy: -711.422
Base-Backbone interact. energy: -1.266
local terms energy: -735.892806
where:
bonds (distance) C4'-P energy: -132.415
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -152.044
flat angles P-C4'-P energy: -97.048
tors. eta vs tors. theta energy: -219.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2246.497142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.497142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.497142 (E_RNA)
where:
Base-Base interactions energy: -1607.284
where: short stacking energy: -619.508
Base-Backbone interact. energy: 1.025
local terms energy: -640.238038
where:
bonds (distance) C4'-P energy: -117.421
bonds (distance) P-C4' energy: -118.753
flat angles C4'-P-C4' energy: -146.485
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -176.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -2138.967603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.967603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.967603 (E_RNA)
where:
Base-Base interactions energy: -1525.886
where: short stacking energy: -639.223
Base-Backbone interact. energy: -3.077
local terms energy: -610.004880
where:
bonds (distance) C4'-P energy: -100.359
bonds (distance) P-C4' energy: -112.856
flat angles C4'-P-C4' energy: -137.090
flat angles P-C4'-P energy: -90.204
tors. eta vs tors. theta energy: -169.497
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: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1993.670457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.670457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.670457 (E_RNA)
where:
Base-Base interactions energy: -1410.415
where: short stacking energy: -592.896
Base-Backbone interact. energy: -1.725
local terms energy: -581.530956
where:
bonds (distance) C4'-P energy: -109.316
bonds (distance) P-C4' energy: -109.398
flat angles C4'-P-C4' energy: -138.021
flat angles P-C4'-P energy: -86.216
tors. eta vs tors. theta energy: -138.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1538.942319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.942319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.942319 (E_RNA)
where:
Base-Base interactions energy: -1071.222
where: short stacking energy: -458.782
Base-Backbone interact. energy: 2.522
local terms energy: -470.242610
where:
bonds (distance) C4'-P energy: -97.122
bonds (distance) P-C4' energy: -122.511
flat angles C4'-P-C4' energy: -100.537
flat angles P-C4'-P energy: -74.610
tors. eta vs tors. theta energy: -75.462
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: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1312.983079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.983079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.983079 (E_RNA)
where:
Base-Base interactions energy: -850.526
where: short stacking energy: -353.109
Base-Backbone interact. energy: -0.656
local terms energy: -461.801630
where:
bonds (distance) C4'-P energy: -119.866
bonds (distance) P-C4' energy: -124.626
flat angles C4'-P-C4' energy: -100.769
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -58.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -1046.517397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.517397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.517397 (E_RNA)
where:
Base-Base interactions energy: -628.000
where: short stacking energy: -292.599
Base-Backbone interact. energy: 5.732
local terms energy: -424.248920
where:
bonds (distance) C4'-P energy: -101.505
bonds (distance) P-C4' energy: -122.770
flat angles C4'-P-C4' energy: -118.415
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -25.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2575.508526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.508526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.508526 (E_RNA)
where:
Base-Base interactions energy: -1790.298
where: short stacking energy: -749.631
Base-Backbone interact. energy: -3.551
local terms energy: -781.659190
where:
bonds (distance) C4'-P energy: -145.696
bonds (distance) P-C4' energy: -145.469
flat angles C4'-P-C4' energy: -163.176
flat angles P-C4'-P energy: -111.161
tors. eta vs tors. theta energy: -216.157
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: 7
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2536.310175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.310175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.310175 (E_RNA)
where:
Base-Base interactions energy: -1818.005
where: short stacking energy: -758.522
Base-Backbone interact. energy: 1.546
local terms energy: -719.850906
where:
bonds (distance) C4'-P energy: -115.537
bonds (distance) P-C4' energy: -128.013
flat angles C4'-P-C4' energy: -159.509
flat angles P-C4'-P energy: -108.191
tors. eta vs tors. theta energy: -208.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2427.744500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.744500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.744500 (E_RNA)
where:
Base-Base interactions energy: -1714.254
where: short stacking energy: -740.124
Base-Backbone interact. energy: -1.500
local terms energy: -711.990311
where:
bonds (distance) C4'-P energy: -138.291
bonds (distance) P-C4' energy: -131.264
flat angles C4'-P-C4' energy: -134.877
flat angles P-C4'-P energy: -101.329
tors. eta vs tors. theta energy: -206.230
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: 4, replica: 10
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2367.853062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.853062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.853062 (E_RNA)
where:
Base-Base interactions energy: -1634.879
where: short stacking energy: -727.780
Base-Backbone interact. energy: -2.362
local terms energy: -730.612067
where:
bonds (distance) C4'-P energy: -131.735
bonds (distance) P-C4' energy: -132.641
flat angles C4'-P-C4' energy: -155.319
flat angles P-C4'-P energy: -95.512
tors. eta vs tors. theta energy: -215.405
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: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2231.519827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.519827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.519827 (E_RNA)
where:
Base-Base interactions energy: -1569.999
where: short stacking energy: -678.656
Base-Backbone interact. energy: -2.536
local terms energy: -658.985054
where:
bonds (distance) C4'-P energy: -117.596
bonds (distance) P-C4' energy: -110.736
flat angles C4'-P-C4' energy: -143.858
flat angles P-C4'-P energy: -100.085
tors. eta vs tors. theta energy: -186.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -2203.483046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.483046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.483046 (E_RNA)
where:
Base-Base interactions energy: -1574.273
where: short stacking energy: -634.092
Base-Backbone interact. energy: 2.476
local terms energy: -631.686238
where:
bonds (distance) C4'-P energy: -105.907
bonds (distance) P-C4' energy: -120.309
flat angles C4'-P-C4' energy: -139.766
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -176.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1919.737826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.737826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.737826 (E_RNA)
where:
Base-Base interactions energy: -1340.687
where: short stacking energy: -563.773
Base-Backbone interact. energy: -1.418
local terms energy: -577.632294
where:
bonds (distance) C4'-P energy: -110.507
bonds (distance) P-C4' energy: -106.562
flat angles C4'-P-C4' energy: -134.259
flat angles P-C4'-P energy: -98.467
tors. eta vs tors. theta energy: -127.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1632.767668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.767668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.767668 (E_RNA)
where:
Base-Base interactions energy: -1097.524
where: short stacking energy: -482.671
Base-Backbone interact. energy: -0.148
local terms energy: -535.096180
where:
bonds (distance) C4'-P energy: -106.912
bonds (distance) P-C4' energy: -123.390
flat angles C4'-P-C4' energy: -133.915
flat angles P-C4'-P energy: -73.279
tors. eta vs tors. theta energy: -97.599
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: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1345.387379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.387379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.387379 (E_RNA)
where:
Base-Base interactions energy: -840.248
where: short stacking energy: -394.142
Base-Backbone interact. energy: 1.521
local terms energy: -506.659708
where:
bonds (distance) C4'-P energy: -117.124
bonds (distance) P-C4' energy: -139.992
flat angles C4'-P-C4' energy: -103.738
flat angles P-C4'-P energy: -69.102
tors. eta vs tors. theta energy: -76.704
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: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -975.551642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.551642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.551642 (E_RNA)
where:
Base-Base interactions energy: -580.258
where: short stacking energy: -306.857
Base-Backbone interact. energy: -1.223
local terms energy: -394.070882
where:
bonds (distance) C4'-P energy: -101.114
bonds (distance) P-C4' energy: -121.092
flat angles C4'-P-C4' energy: -110.712
flat angles P-C4'-P energy: -49.216
tors. eta vs tors. theta energy: -11.937
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: 435
Temperature: 0.900000
Total energy: -2555.397398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.397398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.397398 (E_RNA)
where:
Base-Base interactions energy: -1790.264
where: short stacking energy: -765.945
Base-Backbone interact. energy: -3.394
local terms energy: -761.739755
where:
bonds (distance) C4'-P energy: -136.884
bonds (distance) P-C4' energy: -138.637
flat angles C4'-P-C4' energy: -161.225
flat angles P-C4'-P energy: -108.695
tors. eta vs tors. theta energy: -216.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2541.332968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.332968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.332968 (E_RNA)
where:
Base-Base interactions energy: -1810.406
where: short stacking energy: -733.802
Base-Backbone interact. energy: -2.970
local terms energy: -727.956722
where:
bonds (distance) C4'-P energy: -124.822
bonds (distance) P-C4' energy: -132.852
flat angles C4'-P-C4' energy: -161.788
flat angles P-C4'-P energy: -104.567
tors. eta vs tors. theta energy: -203.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2462.273683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.273683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.273683 (E_RNA)
where:
Base-Base interactions energy: -1732.282
where: short stacking energy: -725.571
Base-Backbone interact. energy: -3.771
local terms energy: -726.220777
where:
bonds (distance) C4'-P energy: -127.729
bonds (distance) P-C4' energy: -130.998
flat angles C4'-P-C4' energy: -153.959
flat angles P-C4'-P energy: -109.523
tors. eta vs tors. theta energy: -204.011
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: 10
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2382.776331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.776331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.776331 (E_RNA)
where:
Base-Base interactions energy: -1657.895
where: short stacking energy: -740.678
Base-Backbone interact. energy: -1.450
local terms energy: -723.430836
where:
bonds (distance) C4'-P energy: -131.418
bonds (distance) P-C4' energy: -112.417
flat angles C4'-P-C4' energy: -156.747
flat angles P-C4'-P energy: -105.728
tors. eta vs tors. theta energy: -217.120
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: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2230.294580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.294580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.294580 (E_RNA)
where:
Base-Base interactions energy: -1548.517
where: short stacking energy: -649.131
Base-Backbone interact. energy: -1.321
local terms energy: -680.456832
where:
bonds (distance) C4'-P energy: -123.405
bonds (distance) P-C4' energy: -136.189
flat angles C4'-P-C4' energy: -137.211
flat angles P-C4'-P energy: -105.008
tors. eta vs tors. theta energy: -178.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -2142.104990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.104990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.104990 (E_RNA)
where:
Base-Base interactions energy: -1509.328
where: short stacking energy: -629.232
Base-Backbone interact. energy: -2.992
local terms energy: -629.785116
where:
bonds (distance) C4'-P energy: -117.617
bonds (distance) P-C4' energy: -138.254
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -168.847
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1908.306584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.306584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.306584 (E_RNA)
where:
Base-Base interactions energy: -1331.591
where: short stacking energy: -567.789
Base-Backbone interact. energy: 2.346
local terms energy: -579.061170
where:
bonds (distance) C4'-P energy: -115.095
bonds (distance) P-C4' energy: -125.425
flat angles C4'-P-C4' energy: -134.754
flat angles P-C4'-P energy: -85.898
tors. eta vs tors. theta energy: -117.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1638.301228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.301228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.301228 (E_RNA)
where:
Base-Base interactions energy: -1090.962
where: short stacking energy: -478.801
Base-Backbone interact. energy: 5.099
local terms energy: -552.438300
where:
bonds (distance) C4'-P energy: -116.412
bonds (distance) P-C4' energy: -116.513
flat angles C4'-P-C4' energy: -137.732
flat angles P-C4'-P energy: -77.631
tors. eta vs tors. theta energy: -104.150
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: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1353.591395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.591395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.591395 (E_RNA)
where:
Base-Base interactions energy: -901.069
where: short stacking energy: -419.946
Base-Backbone interact. energy: 0.693
local terms energy: -453.215377
where:
bonds (distance) C4'-P energy: -93.181
bonds (distance) P-C4' energy: -89.830
flat angles C4'-P-C4' energy: -118.852
flat angles P-C4'-P energy: -67.008
tors. eta vs tors. theta energy: -84.344
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: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -977.897767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.897767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.897767 (E_RNA)
where:
Base-Base interactions energy: -593.674
where: short stacking energy: -275.832
Base-Backbone interact. energy: -4.001
local terms energy: -380.222986
where:
bonds (distance) C4'-P energy: -92.597
bonds (distance) P-C4' energy: -111.094
flat angles C4'-P-C4' energy: -101.199
flat angles P-C4'-P energy: -62.058
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2567.797150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.797150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.797150 (E_RNA)
where:
Base-Base interactions energy: -1821.922
where: short stacking energy: -768.998
Base-Backbone interact. energy: -0.217
local terms energy: -745.658600
where:
bonds (distance) C4'-P energy: -137.257
bonds (distance) P-C4' energy: -124.484
flat angles C4'-P-C4' energy: -156.950
flat angles P-C4'-P energy: -99.008
tors. eta vs tors. theta energy: -227.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2566.147137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.147137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.147137 (E_RNA)
where:
Base-Base interactions energy: -1806.322
where: short stacking energy: -758.725
Base-Backbone interact. energy: -1.542
local terms energy: -758.282835
where:
bonds (distance) C4'-P energy: -131.956
bonds (distance) P-C4' energy: -141.167
flat angles C4'-P-C4' energy: -162.670
flat angles P-C4'-P energy: -115.447
tors. eta vs tors. theta energy: -207.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2423.232740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.232740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.232740 (E_RNA)
where:
Base-Base interactions energy: -1714.368
where: short stacking energy: -715.591
Base-Backbone interact. energy: -5.709
local terms energy: -703.154921
where:
bonds (distance) C4'-P energy: -125.426
bonds (distance) P-C4' energy: -138.759
flat angles C4'-P-C4' energy: -146.843
flat angles P-C4'-P energy: -97.919
tors. eta vs tors. theta energy: -194.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2403.810302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.810302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.810302 (E_RNA)
where:
Base-Base interactions energy: -1658.719
where: short stacking energy: -722.877
Base-Backbone interact. energy: -1.490
local terms energy: -743.600893
where:
bonds (distance) C4'-P energy: -123.462
bonds (distance) P-C4' energy: -140.918
flat angles C4'-P-C4' energy: -156.171
flat angles P-C4'-P energy: -107.770
tors. eta vs tors. theta energy: -215.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2233.653572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.653572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.653572 (E_RNA)
where:
Base-Base interactions energy: -1573.487
where: short stacking energy: -669.322
Base-Backbone interact. energy: 3.953
local terms energy: -664.120213
where:
bonds (distance) C4'-P energy: -119.617
bonds (distance) P-C4' energy: -134.004
flat angles C4'-P-C4' energy: -131.131
flat angles P-C4'-P energy: -103.770
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: 6, replica: 3
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -2108.029309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.029309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.029309 (E_RNA)
where:
Base-Base interactions energy: -1485.026
where: short stacking energy: -616.948
Base-Backbone interact. energy: 1.795
local terms energy: -624.798592
where:
bonds (distance) C4'-P energy: -116.688
bonds (distance) P-C4' energy: -104.751
flat angles C4'-P-C4' energy: -144.647
flat angles P-C4'-P energy: -87.682
tors. eta vs tors. theta energy: -171.030
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1927.891132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.891132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.891132 (E_RNA)
where:
Base-Base interactions energy: -1322.718
where: short stacking energy: -571.600
Base-Backbone interact. energy: -2.133
local terms energy: -603.040401
where:
bonds (distance) C4'-P energy: -117.573
bonds (distance) P-C4' energy: -106.892
flat angles C4'-P-C4' energy: -139.978
flat angles P-C4'-P energy: -88.562
tors. eta vs tors. theta energy: -150.035
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1590.907860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.907860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.907860 (E_RNA)
where:
Base-Base interactions energy: -1057.872
where: short stacking energy: -475.083
Base-Backbone interact. energy: -0.214
local terms energy: -532.822414
where:
bonds (distance) C4'-P energy: -109.856
bonds (distance) P-C4' energy: -112.509
flat angles C4'-P-C4' energy: -128.564
flat angles P-C4'-P energy: -81.405
tors. eta vs tors. theta energy: -100.489
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1255.211524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.211524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.211524 (E_RNA)
where:
Base-Base interactions energy: -799.547
where: short stacking energy: -355.585
Base-Backbone interact. energy: 2.022
local terms energy: -457.687076
where:
bonds (distance) C4'-P energy: -101.829
bonds (distance) P-C4' energy: -106.200
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -76.630
tors. eta vs tors. theta energy: -56.487
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: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -970.940071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.940071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.940071 (E_RNA)
where:
Base-Base interactions energy: -561.005
where: short stacking energy: -285.819
Base-Backbone interact. energy: -4.788
local terms energy: -405.146553
where:
bonds (distance) C4'-P energy: -113.841
bonds (distance) P-C4' energy: -104.862
flat angles C4'-P-C4' energy: -97.993
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: -35.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2591.368090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.368090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.368090 (E_RNA)
where:
Base-Base interactions energy: -1841.495
where: short stacking energy: -767.977
Base-Backbone interact. energy: -1.981
local terms energy: -747.892349
where:
bonds (distance) C4'-P energy: -140.930
bonds (distance) P-C4' energy: -127.105
flat angles C4'-P-C4' energy: -160.223
flat angles P-C4'-P energy: -108.299
tors. eta vs tors. theta energy: -211.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2528.129858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.129858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.129858 (E_RNA)
where:
Base-Base interactions energy: -1798.826
where: short stacking energy: -741.573
Base-Backbone interact. energy: 0.194
local terms energy: -729.497422
where:
bonds (distance) C4'-P energy: -138.875
bonds (distance) P-C4' energy: -141.506
flat angles C4'-P-C4' energy: -149.277
flat angles P-C4'-P energy: -97.167
tors. eta vs tors. theta energy: -202.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2417.098514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.098514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.098514 (E_RNA)
where:
Base-Base interactions energy: -1706.675
where: short stacking energy: -702.904
Base-Backbone interact. energy: -5.394
local terms energy: -705.030088
where:
bonds (distance) C4'-P energy: -124.095
bonds (distance) P-C4' energy: -136.694
flat angles C4'-P-C4' energy: -144.924
flat angles P-C4'-P energy: -101.394
tors. eta vs tors. theta energy: -197.923
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: 10
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2365.045659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.045659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.045659 (E_RNA)
where:
Base-Base interactions energy: -1654.390
where: short stacking energy: -725.892
Base-Backbone interact. energy: -1.370
local terms energy: -709.285256
where:
bonds (distance) C4'-P energy: -122.903
bonds (distance) P-C4' energy: -123.717
flat angles C4'-P-C4' energy: -150.463
flat angles P-C4'-P energy: -92.479
tors. eta vs tors. theta energy: -219.724
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2208.418076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.418076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.418076 (E_RNA)
where:
Base-Base interactions energy: -1550.871
where: short stacking energy: -664.341
Base-Backbone interact. energy: -4.435
local terms energy: -653.112579
where:
bonds (distance) C4'-P energy: -106.750
bonds (distance) P-C4' energy: -126.247
flat angles C4'-P-C4' energy: -135.123
flat angles P-C4'-P energy: -103.014
tors. eta vs tors. theta energy: -181.979
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: 3
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -2096.972908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.972908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.972908 (E_RNA)
where:
Base-Base interactions energy: -1506.199
where: short stacking energy: -644.395
Base-Backbone interact. energy: 1.555
local terms energy: -592.328351
where:
bonds (distance) C4'-P energy: -123.517
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -131.992
flat angles P-C4'-P energy: -86.413
tors. eta vs tors. theta energy: -143.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1933.339345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.339345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.339345 (E_RNA)
where:
Base-Base interactions energy: -1328.924
where: short stacking energy: -565.729
Base-Backbone interact. energy: 0.094
local terms energy: -604.509180
where:
bonds (distance) C4'-P energy: -108.410
bonds (distance) P-C4' energy: -119.497
flat angles C4'-P-C4' energy: -140.239
flat angles P-C4'-P energy: -99.936
tors. eta vs tors. theta energy: -136.427
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: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1590.549582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.549582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.549582 (E_RNA)
where:
Base-Base interactions energy: -1086.627
where: short stacking energy: -454.800
Base-Backbone interact. energy: 7.696
local terms energy: -511.618623
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -109.173
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -86.805
tors. eta vs tors. theta energy: -102.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1260.734731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.734731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.734731 (E_RNA)
where:
Base-Base interactions energy: -811.930
where: short stacking energy: -370.049
Base-Backbone interact. energy: 5.984
local terms energy: -454.788396
where:
bonds (distance) C4'-P energy: -103.521
bonds (distance) P-C4' energy: -101.649
flat angles C4'-P-C4' energy: -113.796
flat angles P-C4'-P energy: -76.125
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -1044.813475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.813475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.813475 (E_RNA)
where:
Base-Base interactions energy: -601.116
where: short stacking energy: -290.102
Base-Backbone interact. energy: 4.051
local terms energy: -447.748062
where:
bonds (distance) C4'-P energy: -121.493
bonds (distance) P-C4' energy: -108.198
flat angles C4'-P-C4' energy: -106.263
flat angles P-C4'-P energy: -84.772
tors. eta vs tors. theta energy: -27.022
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: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2597.588529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.588529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.588529 (E_RNA)
where:
Base-Base interactions energy: -1832.863
where: short stacking energy: -783.596
Base-Backbone interact. energy: -0.655
local terms energy: -764.071014
where:
bonds (distance) C4'-P energy: -141.029
bonds (distance) P-C4' energy: -121.637
flat angles C4'-P-C4' energy: -169.840
flat angles P-C4'-P energy: -114.534
tors. eta vs tors. theta energy: -217.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2533.104940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.104940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.104940 (E_RNA)
where:
Base-Base interactions energy: -1789.838
where: short stacking energy: -745.701
Base-Backbone interact. energy: 3.256
local terms energy: -746.522563
where:
bonds (distance) C4'-P energy: -127.657
bonds (distance) P-C4' energy: -152.990
flat angles C4'-P-C4' energy: -151.148
flat angles P-C4'-P energy: -108.197
tors. eta vs tors. theta energy: -206.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -2411.193085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.193085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.193085 (E_RNA)
where:
Base-Base interactions energy: -1683.476
where: short stacking energy: -727.307
Base-Backbone interact. energy: -3.544
local terms energy: -724.172983
where:
bonds (distance) C4'-P energy: -127.742
bonds (distance) P-C4' energy: -127.946
flat angles C4'-P-C4' energy: -150.004
flat angles P-C4'-P energy: -99.010
tors. eta vs tors. theta energy: -219.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2392.257580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.257580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.257580 (E_RNA)
where:
Base-Base interactions energy: -1695.780
where: short stacking energy: -709.586
Base-Backbone interact. energy: -3.119
local terms energy: -693.359039
where:
bonds (distance) C4'-P energy: -104.677
bonds (distance) P-C4' energy: -140.484
flat angles C4'-P-C4' energy: -147.853
flat angles P-C4'-P energy: -102.094
tors. eta vs tors. theta energy: -198.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2210.220987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.220987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.220987 (E_RNA)
where:
Base-Base interactions energy: -1534.369
where: short stacking energy: -632.517
Base-Backbone interact. energy: 1.439
local terms energy: -677.290655
where:
bonds (distance) C4'-P energy: -118.465
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -155.384
flat angles P-C4'-P energy: -97.358
tors. eta vs tors. theta energy: -182.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -2068.856539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.856539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.856539 (E_RNA)
where:
Base-Base interactions energy: -1488.846
where: short stacking energy: -614.055
Base-Backbone interact. energy: 3.983
local terms energy: -583.993517
where:
bonds (distance) C4'-P energy: -125.408
bonds (distance) P-C4' energy: -117.230
flat angles C4'-P-C4' energy: -122.627
flat angles P-C4'-P energy: -83.907
tors. eta vs tors. theta energy: -134.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1957.870931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.870931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.870931 (E_RNA)
where:
Base-Base interactions energy: -1378.561
where: short stacking energy: -581.970
Base-Backbone interact. energy: 0.530
local terms energy: -579.840588
where:
bonds (distance) C4'-P energy: -112.977
bonds (distance) P-C4' energy: -132.368
flat angles C4'-P-C4' energy: -118.002
flat angles P-C4'-P energy: -69.871
tors. eta vs tors. theta energy: -146.623
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: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1556.190729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.190729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.190729 (E_RNA)
where:
Base-Base interactions energy: -1051.004
where: short stacking energy: -441.968
Base-Backbone interact. energy: -1.427
local terms energy: -503.759560
where:
bonds (distance) C4'-P energy: -108.294
bonds (distance) P-C4' energy: -119.489
flat angles C4'-P-C4' energy: -110.820
flat angles P-C4'-P energy: -73.048
tors. eta vs tors. theta energy: -92.108
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: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1247.428209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.428209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.428209 (E_RNA)
where:
Base-Base interactions energy: -809.309
where: short stacking energy: -378.788
Base-Backbone interact. energy: 2.613
local terms energy: -440.732472
where:
bonds (distance) C4'-P energy: -115.651
bonds (distance) P-C4' energy: -106.031
flat angles C4'-P-C4' energy: -102.917
flat angles P-C4'-P energy: -65.232
tors. eta vs tors. theta energy: -50.901
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: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -1042.825962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.825962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.825962 (E_RNA)
where:
Base-Base interactions energy: -617.830
where: short stacking energy: -300.067
Base-Backbone interact. energy: -1.070
local terms energy: -423.926036
where:
bonds (distance) C4'-P energy: -111.053
bonds (distance) P-C4' energy: -113.577
flat angles C4'-P-C4' energy: -102.962
flat angles P-C4'-P energy: -76.298
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2570.888126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.888126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.888126 (E_RNA)
where:
Base-Base interactions energy: -1829.841
where: short stacking energy: -779.217
Base-Backbone interact. energy: -1.298
local terms energy: -739.749104
where:
bonds (distance) C4'-P energy: -130.386
bonds (distance) P-C4' energy: -132.498
flat angles C4'-P-C4' energy: -153.527
flat angles P-C4'-P energy: -112.828
tors. eta vs tors. theta energy: -210.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2545.313263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.313263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.313263 (E_RNA)
where:
Base-Base interactions energy: -1808.348
where: short stacking energy: -738.037
Base-Backbone interact. energy: -8.299
local terms energy: -728.665758
where:
bonds (distance) C4'-P energy: -131.615
bonds (distance) P-C4' energy: -131.306
flat angles C4'-P-C4' energy: -150.692
flat angles P-C4'-P energy: -106.414
tors. eta vs tors. theta energy: -208.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2409.894277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.894277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.894277 (E_RNA)
where:
Base-Base interactions energy: -1696.722
where: short stacking energy: -743.844
Base-Backbone interact. energy: 2.140
local terms energy: -715.312336
where:
bonds (distance) C4'-P energy: -106.618
bonds (distance) P-C4' energy: -134.082
flat angles C4'-P-C4' energy: -145.775
flat angles P-C4'-P energy: -104.207
tors. eta vs tors. theta energy: -224.630
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: 439
Temperature: 1.050000
Total energy: -2375.483426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.483426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.483426 (E_RNA)
where:
Base-Base interactions energy: -1702.210
where: short stacking energy: -711.833
Base-Backbone interact. energy: -0.292
local terms energy: -672.981338
where:
bonds (distance) C4'-P energy: -120.343
bonds (distance) P-C4' energy: -125.398
flat angles C4'-P-C4' energy: -135.467
flat angles P-C4'-P energy: -90.845
tors. eta vs tors. theta energy: -200.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2199.327466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.327466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.327466 (E_RNA)
where:
Base-Base interactions energy: -1547.671
where: short stacking energy: -656.664
Base-Backbone interact. energy: 0.917
local terms energy: -652.573570
where:
bonds (distance) C4'-P energy: -128.327
bonds (distance) P-C4' energy: -117.870
flat angles C4'-P-C4' energy: -129.017
flat angles P-C4'-P energy: -97.334
tors. eta vs tors. theta energy: -180.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -2094.591040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.591040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.591040 (E_RNA)
where:
Base-Base interactions energy: -1470.826
where: short stacking energy: -617.032
Base-Backbone interact. energy: -1.897
local terms energy: -621.868355
where:
bonds (distance) C4'-P energy: -108.724
bonds (distance) P-C4' energy: -123.845
flat angles C4'-P-C4' energy: -148.499
flat angles P-C4'-P energy: -82.520
tors. eta vs tors. theta energy: -158.281
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1936.258439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.258439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.258439 (E_RNA)
where:
Base-Base interactions energy: -1307.975
where: short stacking energy: -562.676
Base-Backbone interact. energy: 0.835
local terms energy: -629.118842
where:
bonds (distance) C4'-P energy: -113.157
bonds (distance) P-C4' energy: -124.642
flat angles C4'-P-C4' energy: -150.838
flat angles P-C4'-P energy: -95.111
tors. eta vs tors. theta energy: -145.372
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: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1569.866002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.866002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.866002 (E_RNA)
where:
Base-Base interactions energy: -1064.614
where: short stacking energy: -467.130
Base-Backbone interact. energy: 2.555
local terms energy: -507.806387
where:
bonds (distance) C4'-P energy: -113.404
bonds (distance) P-C4' energy: -124.973
flat angles C4'-P-C4' energy: -110.479
flat angles P-C4'-P energy: -72.449
tors. eta vs tors. theta energy: -86.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1285.033293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.033293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.033293 (E_RNA)
where:
Base-Base interactions energy: -854.784
where: short stacking energy: -370.996
Base-Backbone interact. energy: 0.056
local terms energy: -430.306108
where:
bonds (distance) C4'-P energy: -104.409
bonds (distance) P-C4' energy: -100.219
flat angles C4'-P-C4' energy: -124.714
flat angles P-C4'-P energy: -44.698
tors. eta vs tors. theta energy: -56.267
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: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -971.809720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.809720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.809720 (E_RNA)
where:
Base-Base interactions energy: -600.660
where: short stacking energy: -289.127
Base-Backbone interact. energy: -0.105
local terms energy: -371.044939
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -109.799
flat angles C4'-P-C4' energy: -83.459
flat angles P-C4'-P energy: -68.479
tors. eta vs tors. theta energy: -15.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2599.624734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.624734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.624734 (E_RNA)
where:
Base-Base interactions energy: -1849.889
where: short stacking energy: -753.790
Base-Backbone interact. energy: -0.217
local terms energy: -749.518368
where:
bonds (distance) C4'-P energy: -135.469
bonds (distance) P-C4' energy: -143.463
flat angles C4'-P-C4' energy: -157.855
flat angles P-C4'-P energy: -107.778
tors. eta vs tors. theta energy: -204.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2533.893961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.893961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.893961 (E_RNA)
where:
Base-Base interactions energy: -1779.043
where: short stacking energy: -743.998
Base-Backbone interact. energy: -2.652
local terms energy: -752.199505
where:
bonds (distance) C4'-P energy: -133.996
bonds (distance) P-C4' energy: -141.990
flat angles C4'-P-C4' energy: -164.766
flat angles P-C4'-P energy: -102.164
tors. eta vs tors. theta energy: -209.283
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: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2413.973154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.973154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.973154 (E_RNA)
where:
Base-Base interactions energy: -1664.526
where: short stacking energy: -707.421
Base-Backbone interact. energy: -4.585
local terms energy: -744.861546
where:
bonds (distance) C4'-P energy: -144.043
bonds (distance) P-C4' energy: -123.643
flat angles C4'-P-C4' energy: -157.490
flat angles P-C4'-P energy: -106.738
tors. eta vs tors. theta energy: -212.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2329.626901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.626901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.626901 (E_RNA)
where:
Base-Base interactions energy: -1664.514
where: short stacking energy: -687.167
Base-Backbone interact. energy: -2.679
local terms energy: -662.433859
where:
bonds (distance) C4'-P energy: -113.869
bonds (distance) P-C4' energy: -126.050
flat angles C4'-P-C4' energy: -129.767
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -184.247
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: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2227.756411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.756411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.756411 (E_RNA)
where:
Base-Base interactions energy: -1553.009
where: short stacking energy: -666.144
Base-Backbone interact. energy: -0.246
local terms energy: -674.502331
where:
bonds (distance) C4'-P energy: -117.040
bonds (distance) P-C4' energy: -129.408
flat angles C4'-P-C4' energy: -151.648
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -187.766
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: 3
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -2054.775887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.775887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.775887 (E_RNA)
where:
Base-Base interactions energy: -1466.976
where: short stacking energy: -601.605
Base-Backbone interact. energy: -6.185
local terms energy: -581.614831
where:
bonds (distance) C4'-P energy: -118.029
bonds (distance) P-C4' energy: -109.894
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -69.188
tors. eta vs tors. theta energy: -150.995
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: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1908.282235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.282235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.282235 (E_RNA)
where:
Base-Base interactions energy: -1324.145
where: short stacking energy: -590.394
Base-Backbone interact. energy: -0.785
local terms energy: -583.352540
where:
bonds (distance) C4'-P energy: -102.586
bonds (distance) P-C4' energy: -135.600
flat angles C4'-P-C4' energy: -105.639
flat angles P-C4'-P energy: -84.161
tors. eta vs tors. theta energy: -155.367
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: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1570.852177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.852177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.852177 (E_RNA)
where:
Base-Base interactions energy: -1043.923
where: short stacking energy: -452.430
Base-Backbone interact. energy: -2.119
local terms energy: -524.810404
where:
bonds (distance) C4'-P energy: -103.085
bonds (distance) P-C4' energy: -118.734
flat angles C4'-P-C4' energy: -137.966
flat angles P-C4'-P energy: -77.282
tors. eta vs tors. theta energy: -87.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1291.541950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.541950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.541950 (E_RNA)
where:
Base-Base interactions energy: -843.232
where: short stacking energy: -392.679
Base-Backbone interact. energy: -1.840
local terms energy: -446.469098
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -122.009
flat angles C4'-P-C4' energy: -89.845
flat angles P-C4'-P energy: -68.123
tors. eta vs tors. theta energy: -64.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -1067.233129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.233129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.233129 (E_RNA)
where:
Base-Base interactions energy: -653.197
where: short stacking energy: -313.017
Base-Backbone interact. energy: 5.338
local terms energy: -419.374207
where:
bonds (distance) C4'-P energy: -111.175
bonds (distance) P-C4' energy: -102.305
flat angles C4'-P-C4' energy: -100.600
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -42.053
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: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2573.532218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.532218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.532218 (E_RNA)
where:
Base-Base interactions energy: -1836.337
where: short stacking energy: -763.467
Base-Backbone interact. energy: 0.427
local terms energy: -737.621650
where:
bonds (distance) C4'-P energy: -138.233
bonds (distance) P-C4' energy: -141.239
flat angles C4'-P-C4' energy: -147.468
flat angles P-C4'-P energy: -101.505
tors. eta vs tors. theta energy: -209.177
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: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2536.460744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.460744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.460744 (E_RNA)
where:
Base-Base interactions energy: -1784.401
where: short stacking energy: -742.691
Base-Backbone interact. energy: -2.958
local terms energy: -749.101856
where:
bonds (distance) C4'-P energy: -133.152
bonds (distance) P-C4' energy: -135.413
flat angles C4'-P-C4' energy: -162.234
flat angles P-C4'-P energy: -100.741
tors. eta vs tors. theta energy: -217.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2431.354160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.354160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.354160 (E_RNA)
where:
Base-Base interactions energy: -1683.902
where: short stacking energy: -744.012
Base-Backbone interact. energy: -1.292
local terms energy: -746.159340
where:
bonds (distance) C4'-P energy: -127.447
bonds (distance) P-C4' energy: -129.519
flat angles C4'-P-C4' energy: -164.249
flat angles P-C4'-P energy: -102.288
tors. eta vs tors. theta energy: -222.655
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: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2354.914629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.914629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.914629 (E_RNA)
where:
Base-Base interactions energy: -1642.845
where: short stacking energy: -680.664
Base-Backbone interact. energy: -3.583
local terms energy: -708.486268
where:
bonds (distance) C4'-P energy: -133.441
bonds (distance) P-C4' energy: -134.658
flat angles C4'-P-C4' energy: -144.521
flat angles P-C4'-P energy: -103.911
tors. eta vs tors. theta energy: -191.956
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: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2252.685553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.685553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.685553 (E_RNA)
where:
Base-Base interactions energy: -1578.060
where: short stacking energy: -670.317
Base-Backbone interact. energy: -5.088
local terms energy: -669.537664
where:
bonds (distance) C4'-P energy: -113.062
bonds (distance) P-C4' energy: -137.076
flat angles C4'-P-C4' energy: -145.445
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -192.971
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: 3
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -2055.519406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.519406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.519406 (E_RNA)
where:
Base-Base interactions energy: -1436.837
where: short stacking energy: -578.445
Base-Backbone interact. energy: -3.258
local terms energy: -615.424113
where:
bonds (distance) C4'-P energy: -114.203
bonds (distance) P-C4' energy: -125.378
flat angles C4'-P-C4' energy: -138.007
flat angles P-C4'-P energy: -86.506
tors. eta vs tors. theta energy: -151.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1980.947157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.947157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.947157 (E_RNA)
where:
Base-Base interactions energy: -1376.118
where: short stacking energy: -607.004
Base-Backbone interact. energy: -0.834
local terms energy: -603.995703
where:
bonds (distance) C4'-P energy: -110.752
bonds (distance) P-C4' energy: -100.120
flat angles C4'-P-C4' energy: -145.823
flat angles P-C4'-P energy: -95.788
tors. eta vs tors. theta energy: -151.513
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1580.655982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.655982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.655982 (E_RNA)
where:
Base-Base interactions energy: -1063.656
where: short stacking energy: -462.673
Base-Backbone interact. energy: 4.646
local terms energy: -521.646071
where:
bonds (distance) C4'-P energy: -112.423
bonds (distance) P-C4' energy: -114.390
flat angles C4'-P-C4' energy: -124.236
flat angles P-C4'-P energy: -69.044
tors. eta vs tors. theta energy: -101.554
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: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1304.848057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.848057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.848057 (E_RNA)
where:
Base-Base interactions energy: -820.797
where: short stacking energy: -344.311
Base-Backbone interact. energy: -1.872
local terms energy: -482.178575
where:
bonds (distance) C4'-P energy: -113.865
bonds (distance) P-C4' energy: -119.451
flat angles C4'-P-C4' energy: -108.460
flat angles P-C4'-P energy: -84.447
tors. eta vs tors. theta energy: -55.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -1015.694950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.694950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.694950 (E_RNA)
where:
Base-Base interactions energy: -626.977
where: short stacking energy: -265.006
Base-Backbone interact. energy: -1.774
local terms energy: -386.943920
where:
bonds (distance) C4'-P energy: -81.737
bonds (distance) P-C4' energy: -114.928
flat angles C4'-P-C4' energy: -100.398
flat angles P-C4'-P energy: -58.465
tors. eta vs tors. theta energy: -31.416
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: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2572.572194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.572194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.572194 (E_RNA)
where:
Base-Base interactions energy: -1835.406
where: short stacking energy: -757.577
Base-Backbone interact. energy: -1.276
local terms energy: -735.890587
where:
bonds (distance) C4'-P energy: -123.086
bonds (distance) P-C4' energy: -127.100
flat angles C4'-P-C4' energy: -164.133
flat angles P-C4'-P energy: -107.606
tors. eta vs tors. theta energy: -213.966
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: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2555.417871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.417871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.417871 (E_RNA)
where:
Base-Base interactions energy: -1812.347
where: short stacking energy: -763.813
Base-Backbone interact. energy: 2.967
local terms energy: -746.038369
where:
bonds (distance) C4'-P energy: -126.012
bonds (distance) P-C4' energy: -138.587
flat angles C4'-P-C4' energy: -164.988
flat angles P-C4'-P energy: -103.352
tors. eta vs tors. theta energy: -213.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2405.040079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.040079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.040079 (E_RNA)
where:
Base-Base interactions energy: -1667.168
where: short stacking energy: -737.984
Base-Backbone interact. energy: -2.934
local terms energy: -734.937414
where:
bonds (distance) C4'-P energy: -136.580
bonds (distance) P-C4' energy: -123.762
flat angles C4'-P-C4' energy: -164.055
flat angles P-C4'-P energy: -102.409
tors. eta vs tors. theta energy: -208.133
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: 442
Temperature: 1.050000
Total energy: -2347.229388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.229388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.229388 (E_RNA)
where:
Base-Base interactions energy: -1661.030
where: short stacking energy: -700.394
Base-Backbone interact. energy: -1.943
local terms energy: -684.255551
where:
bonds (distance) C4'-P energy: -138.264
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -151.851
flat angles P-C4'-P energy: -83.036
tors. eta vs tors. theta energy: -191.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2220.578113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.578113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.578113 (E_RNA)
where:
Base-Base interactions energy: -1550.930
where: short stacking energy: -657.163
Base-Backbone interact. energy: 2.623
local terms energy: -672.271776
where:
bonds (distance) C4'-P energy: -105.471
bonds (distance) P-C4' energy: -123.521
flat angles C4'-P-C4' energy: -146.872
flat angles P-C4'-P energy: -98.231
tors. eta vs tors. theta energy: -198.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -2014.178342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.178342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.178342 (E_RNA)
where:
Base-Base interactions energy: -1436.120
where: short stacking energy: -610.541
Base-Backbone interact. energy: 0.576
local terms energy: -578.634431
where:
bonds (distance) C4'-P energy: -99.269
bonds (distance) P-C4' energy: -121.616
flat angles C4'-P-C4' energy: -128.385
flat angles P-C4'-P energy: -77.640
tors. eta vs tors. theta energy: -151.725
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: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1987.355121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.355121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.355121 (E_RNA)
where:
Base-Base interactions energy: -1388.534
where: short stacking energy: -569.905
Base-Backbone interact. energy: -1.830
local terms energy: -596.991259
where:
bonds (distance) C4'-P energy: -118.883
bonds (distance) P-C4' energy: -121.522
flat angles C4'-P-C4' energy: -139.914
flat angles P-C4'-P energy: -84.311
tors. eta vs tors. theta energy: -132.362
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1635.972992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.972992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.972992 (E_RNA)
where:
Base-Base interactions energy: -1105.211
where: short stacking energy: -479.137
Base-Backbone interact. energy: -4.808
local terms energy: -525.953517
where:
bonds (distance) C4'-P energy: -116.850
bonds (distance) P-C4' energy: -121.958
flat angles C4'-P-C4' energy: -108.967
flat angles P-C4'-P energy: -88.579
tors. eta vs tors. theta energy: -89.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1337.384581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.384581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.384581 (E_RNA)
where:
Base-Base interactions energy: -900.709
where: short stacking energy: -400.785
Base-Backbone interact. energy: -0.431
local terms energy: -436.244778
where:
bonds (distance) C4'-P energy: -101.297
bonds (distance) P-C4' energy: -102.496
flat angles C4'-P-C4' energy: -96.147
flat angles P-C4'-P energy: -64.191
tors. eta vs tors. theta energy: -72.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -1113.900867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.900867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.900867 (E_RNA)
where:
Base-Base interactions energy: -690.684
where: short stacking energy: -323.226
Base-Backbone interact. energy: 0.537
local terms energy: -423.753574
where:
bonds (distance) C4'-P energy: -126.852
bonds (distance) P-C4' energy: -97.884
flat angles C4'-P-C4' energy: -97.649
flat angles P-C4'-P energy: -55.852
tors. eta vs tors. theta energy: -45.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2576.284747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.284747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.284747 (E_RNA)
where:
Base-Base interactions energy: -1827.928
where: short stacking energy: -754.384
Base-Backbone interact. energy: -2.706
local terms energy: -745.651165
where:
bonds (distance) C4'-P energy: -137.985
bonds (distance) P-C4' energy: -127.167
flat angles C4'-P-C4' energy: -165.358
flat angles P-C4'-P energy: -100.042
tors. eta vs tors. theta energy: -215.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2499.320124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.320124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.320124 (E_RNA)
where:
Base-Base interactions energy: -1779.662
where: short stacking energy: -740.616
Base-Backbone interact. energy: 3.111
local terms energy: -722.769013
where:
bonds (distance) C4'-P energy: -125.792
bonds (distance) P-C4' energy: -124.402
flat angles C4'-P-C4' energy: -159.615
flat angles P-C4'-P energy: -106.715
tors. eta vs tors. theta energy: -206.244
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: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2445.326322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.326322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.326322 (E_RNA)
where:
Base-Base interactions energy: -1702.489
where: short stacking energy: -739.580
Base-Backbone interact. energy: -2.291
local terms energy: -740.545495
where:
bonds (distance) C4'-P energy: -126.236
bonds (distance) P-C4' energy: -139.839
flat angles C4'-P-C4' energy: -166.608
flat angles P-C4'-P energy: -86.119
tors. eta vs tors. theta energy: -221.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2340.703558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.703558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.703558 (E_RNA)
where:
Base-Base interactions energy: -1642.917
where: short stacking energy: -692.361
Base-Backbone interact. energy: 2.340
local terms energy: -700.125758
where:
bonds (distance) C4'-P energy: -122.383
bonds (distance) P-C4' energy: -124.658
flat angles C4'-P-C4' energy: -149.451
flat angles P-C4'-P energy: -107.209
tors. eta vs tors. theta energy: -196.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2250.975846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.975846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.975846 (E_RNA)
where:
Base-Base interactions energy: -1597.839
where: short stacking energy: -650.876
Base-Backbone interact. energy: -1.019
local terms energy: -652.118164
where:
bonds (distance) C4'-P energy: -114.518
bonds (distance) P-C4' energy: -113.101
flat angles C4'-P-C4' energy: -146.184
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -189.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -2078.237442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2078.237442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2078.237442 (E_RNA)
where:
Base-Base interactions energy: -1433.041
where: short stacking energy: -621.953
Base-Backbone interact. energy: -2.822
local terms energy: -642.374551
where:
bonds (distance) C4'-P energy: -119.956
bonds (distance) P-C4' energy: -132.639
flat angles C4'-P-C4' energy: -145.782
flat angles P-C4'-P energy: -89.905
tors. eta vs tors. theta energy: -154.091
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: 3
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1934.375931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.375931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.375931 (E_RNA)
where:
Base-Base interactions energy: -1341.424
where: short stacking energy: -566.859
Base-Backbone interact. energy: -0.675
local terms energy: -592.277836
where:
bonds (distance) C4'-P energy: -98.603
bonds (distance) P-C4' energy: -118.038
flat angles C4'-P-C4' energy: -139.067
flat angles P-C4'-P energy: -88.817
tors. eta vs tors. theta energy: -147.753
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: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1610.575886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.575886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.575886 (E_RNA)
where:
Base-Base interactions energy: -1084.465
where: short stacking energy: -443.530
Base-Backbone interact. energy: 1.243
local terms energy: -527.354097
where:
bonds (distance) C4'-P energy: -122.477
bonds (distance) P-C4' energy: -125.720
flat angles C4'-P-C4' energy: -125.012
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -82.001
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: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1294.494218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.494218 (E_RNA)
where:
Base-Base interactions energy: -833.899
where: short stacking energy: -383.925
Base-Backbone interact. energy: -3.033
local terms energy: -457.562368
where:
bonds (distance) C4'-P energy: -111.633
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -61.812
tors. eta vs tors. theta energy: -57.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -1136.736546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.736546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.736546 (E_RNA)
where:
Base-Base interactions energy: -714.149
where: short stacking energy: -336.173
Base-Backbone interact. energy: 2.216
local terms energy: -424.803223
where:
bonds (distance) C4'-P energy: -95.206
bonds (distance) P-C4' energy: -122.602
flat angles C4'-P-C4' energy: -98.370
flat angles P-C4'-P energy: -56.302
tors. eta vs tors. theta energy: -52.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2588.851131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.851131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.851131 (E_RNA)
where:
Base-Base interactions energy: -1810.507
where: short stacking energy: -749.187
Base-Backbone interact. energy: 3.626
local terms energy: -781.970685
where:
bonds (distance) C4'-P energy: -140.549
bonds (distance) P-C4' energy: -142.801
flat angles C4'-P-C4' energy: -171.313
flat angles P-C4'-P energy: -121.610
tors. eta vs tors. theta energy: -205.698
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: 444
Temperature: 0.950000
Total energy: -2508.033935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.033935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.033935 (E_RNA)
where:
Base-Base interactions energy: -1747.374
where: short stacking energy: -722.256
Base-Backbone interact. energy: -2.527
local terms energy: -758.132738
where:
bonds (distance) C4'-P energy: -139.552
bonds (distance) P-C4' energy: -137.436
flat angles C4'-P-C4' energy: -151.585
flat angles P-C4'-P energy: -112.785
tors. eta vs tors. theta energy: -216.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2434.469369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.469369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.469369 (E_RNA)
where:
Base-Base interactions energy: -1690.199
where: short stacking energy: -739.006
Base-Backbone interact. energy: -2.078
local terms energy: -742.192774
where:
bonds (distance) C4'-P energy: -124.551
bonds (distance) P-C4' energy: -133.948
flat angles C4'-P-C4' energy: -154.504
flat angles P-C4'-P energy: -105.681
tors. eta vs tors. theta energy: -223.508
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: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2360.973330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.973330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.973330 (E_RNA)
where:
Base-Base interactions energy: -1687.731
where: short stacking energy: -700.703
Base-Backbone interact. energy: -4.211
local terms energy: -669.031294
where:
bonds (distance) C4'-P energy: -115.543
bonds (distance) P-C4' energy: -112.845
flat angles C4'-P-C4' energy: -142.233
flat angles P-C4'-P energy: -101.973
tors. eta vs tors. theta energy: -196.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2220.468857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.468857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.468857 (E_RNA)
where:
Base-Base interactions energy: -1560.078
where: short stacking energy: -668.494
Base-Backbone interact. energy: -0.719
local terms energy: -659.672001
where:
bonds (distance) C4'-P energy: -138.084
bonds (distance) P-C4' energy: -104.413
flat angles C4'-P-C4' energy: -151.048
flat angles P-C4'-P energy: -92.100
tors. eta vs tors. theta energy: -174.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -2138.057883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.057883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.057883 (E_RNA)
where:
Base-Base interactions energy: -1487.105
where: short stacking energy: -628.812
Base-Backbone interact. energy: -2.938
local terms energy: -648.015272
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -107.908
flat angles C4'-P-C4' energy: -150.399
flat angles P-C4'-P energy: -98.308
tors. eta vs tors. theta energy: -164.848
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: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1973.599094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.599094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.599094 (E_RNA)
where:
Base-Base interactions energy: -1366.646
where: short stacking energy: -558.218
Base-Backbone interact. energy: -1.183
local terms energy: -605.770004
where:
bonds (distance) C4'-P energy: -126.081
bonds (distance) P-C4' energy: -134.807
flat angles C4'-P-C4' energy: -136.487
flat angles P-C4'-P energy: -73.063
tors. eta vs tors. theta energy: -135.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1655.100366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.100366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.100366 (E_RNA)
where:
Base-Base interactions energy: -1149.568
where: short stacking energy: -499.201
Base-Backbone interact. energy: 4.279
local terms energy: -509.811849
where:
bonds (distance) C4'-P energy: -89.205
bonds (distance) P-C4' energy: -107.375
flat angles C4'-P-C4' energy: -117.466
flat angles P-C4'-P energy: -69.169
tors. eta vs tors. theta energy: -126.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1335.489335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.489335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.489335 (E_RNA)
where:
Base-Base interactions energy: -889.353
where: short stacking energy: -388.834
Base-Backbone interact. energy: 3.653
local terms energy: -449.789703
where:
bonds (distance) C4'-P energy: -97.171
bonds (distance) P-C4' energy: -122.082
flat angles C4'-P-C4' energy: -103.385
flat angles P-C4'-P energy: -76.100
tors. eta vs tors. theta energy: -51.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -1123.783795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.783795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.783795 (E_RNA)
where:
Base-Base interactions energy: -700.528
where: short stacking energy: -320.115
Base-Backbone interact. energy: -0.150
local terms energy: -423.105245
where:
bonds (distance) C4'-P energy: -104.735
bonds (distance) P-C4' energy: -98.313
flat angles C4'-P-C4' energy: -105.989
flat angles P-C4'-P energy: -57.767
tors. eta vs tors. theta energy: -56.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2589.118524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.118524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.118524 (E_RNA)
where:
Base-Base interactions energy: -1818.971
where: short stacking energy: -746.535
Base-Backbone interact. energy: 1.364
local terms energy: -771.511613
where:
bonds (distance) C4'-P energy: -143.881
bonds (distance) P-C4' energy: -138.760
flat angles C4'-P-C4' energy: -165.887
flat angles P-C4'-P energy: -115.923
tors. eta vs tors. theta energy: -207.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2518.876801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.876801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.876801 (E_RNA)
where:
Base-Base interactions energy: -1779.826
where: short stacking energy: -752.265
Base-Backbone interact. energy: 2.236
local terms energy: -741.287302
where:
bonds (distance) C4'-P energy: -132.015
bonds (distance) P-C4' energy: -132.524
flat angles C4'-P-C4' energy: -158.783
flat angles P-C4'-P energy: -99.966
tors. eta vs tors. theta energy: -217.999
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2422.142166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.142166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.142166 (E_RNA)
where:
Base-Base interactions energy: -1680.275
where: short stacking energy: -732.975
Base-Backbone interact. energy: -0.221
local terms energy: -741.646052
where:
bonds (distance) C4'-P energy: -118.631
bonds (distance) P-C4' energy: -147.846
flat angles C4'-P-C4' energy: -150.842
flat angles P-C4'-P energy: -98.508
tors. eta vs tors. theta energy: -225.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2353.127986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.127986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.127986 (E_RNA)
where:
Base-Base interactions energy: -1664.892
where: short stacking energy: -716.105
Base-Backbone interact. energy: 1.432
local terms energy: -689.668113
where:
bonds (distance) C4'-P energy: -128.506
bonds (distance) P-C4' energy: -132.855
flat angles C4'-P-C4' energy: -144.963
flat angles P-C4'-P energy: -89.268
tors. eta vs tors. theta energy: -194.075
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: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2209.182054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2209.182054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2209.182054 (E_RNA)
where:
Base-Base interactions energy: -1576.482
where: short stacking energy: -658.939
Base-Backbone interact. energy: -4.313
local terms energy: -628.387771
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -102.386
flat angles C4'-P-C4' energy: -138.028
flat angles P-C4'-P energy: -88.577
tors. eta vs tors. theta energy: -171.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -2096.883999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.883999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.883999 (E_RNA)
where:
Base-Base interactions energy: -1498.314
where: short stacking energy: -636.542
Base-Backbone interact. energy: -1.729
local terms energy: -596.840959
where:
bonds (distance) C4'-P energy: -109.896
bonds (distance) P-C4' energy: -106.246
flat angles C4'-P-C4' energy: -138.405
flat angles P-C4'-P energy: -75.119
tors. eta vs tors. theta energy: -167.175
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: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -2017.831531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.831531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.831531 (E_RNA)
where:
Base-Base interactions energy: -1428.480
where: short stacking energy: -604.406
Base-Backbone interact. energy: -1.946
local terms energy: -587.405738
where:
bonds (distance) C4'-P energy: -111.095
bonds (distance) P-C4' energy: -127.013
flat angles C4'-P-C4' energy: -128.721
flat angles P-C4'-P energy: -66.686
tors. eta vs tors. theta energy: -153.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1656.139421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.139421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.139421 (E_RNA)
where:
Base-Base interactions energy: -1121.912
where: short stacking energy: -481.958
Base-Backbone interact. energy: 2.788
local terms energy: -537.014924
where:
bonds (distance) C4'-P energy: -113.933
bonds (distance) P-C4' energy: -117.232
flat angles C4'-P-C4' energy: -131.677
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -101.998
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: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1343.500967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.500967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.500967 (E_RNA)
where:
Base-Base interactions energy: -891.076
where: short stacking energy: -381.989
Base-Backbone interact. energy: -2.712
local terms energy: -449.713622
where:
bonds (distance) C4'-P energy: -87.556
bonds (distance) P-C4' energy: -121.893
flat angles C4'-P-C4' energy: -121.926
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: -59.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -1160.083527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.083527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.083527 (E_RNA)
where:
Base-Base interactions energy: -743.010
where: short stacking energy: -333.797
Base-Backbone interact. energy: 1.714
local terms energy: -418.787205
where:
bonds (distance) C4'-P energy: -110.011
bonds (distance) P-C4' energy: -106.559
flat angles C4'-P-C4' energy: -87.173
flat angles P-C4'-P energy: -69.781
tors. eta vs tors. theta energy: -45.264
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: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2594.165035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.165035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.165035 (E_RNA)
where:
Base-Base interactions energy: -1831.898
where: short stacking energy: -782.045
Base-Backbone interact. energy: -3.166
local terms energy: -759.101501
where:
bonds (distance) C4'-P energy: -139.006
bonds (distance) P-C4' energy: -141.437
flat angles C4'-P-C4' energy: -159.968
flat angles P-C4'-P energy: -103.870
tors. eta vs tors. theta energy: -214.820
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: 446
Temperature: 0.950000
Total energy: -2518.301462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.301462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.301462 (E_RNA)
where:
Base-Base interactions energy: -1757.287
where: short stacking energy: -744.736
Base-Backbone interact. energy: 0.132
local terms energy: -761.146842
where:
bonds (distance) C4'-P energy: -131.547
bonds (distance) P-C4' energy: -137.150
flat angles C4'-P-C4' energy: -166.589
flat angles P-C4'-P energy: -107.588
tors. eta vs tors. theta energy: -218.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2441.330362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.330362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.330362 (E_RNA)
where:
Base-Base interactions energy: -1699.827
where: short stacking energy: -758.170
Base-Backbone interact. energy: -1.627
local terms energy: -739.876364
where:
bonds (distance) C4'-P energy: -132.440
bonds (distance) P-C4' energy: -135.471
flat angles C4'-P-C4' energy: -151.509
flat angles P-C4'-P energy: -103.784
tors. eta vs tors. theta energy: -216.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2354.360155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.360155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.360155 (E_RNA)
where:
Base-Base interactions energy: -1651.735
where: short stacking energy: -708.839
Base-Backbone interact. energy: -3.134
local terms energy: -699.491369
where:
bonds (distance) C4'-P energy: -117.414
bonds (distance) P-C4' energy: -140.051
flat angles C4'-P-C4' energy: -145.885
flat angles P-C4'-P energy: -96.397
tors. eta vs tors. theta energy: -199.744
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: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2280.081127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.081127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.081127 (E_RNA)
where:
Base-Base interactions energy: -1610.747
where: short stacking energy: -681.288
Base-Backbone interact. energy: -0.470
local terms energy: -668.863994
where:
bonds (distance) C4'-P energy: -110.606
bonds (distance) P-C4' energy: -134.519
flat angles C4'-P-C4' energy: -136.395
flat angles P-C4'-P energy: -101.081
tors. eta vs tors. theta energy: -186.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -2130.870910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.870910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.870910 (E_RNA)
where:
Base-Base interactions energy: -1518.873
where: short stacking energy: -656.082
Base-Backbone interact. energy: -0.314
local terms energy: -611.683992
where:
bonds (distance) C4'-P energy: -96.386
bonds (distance) P-C4' energy: -114.341
flat angles C4'-P-C4' energy: -139.445
flat angles P-C4'-P energy: -96.891
tors. eta vs tors. theta energy: -164.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -2039.754749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.754749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.754749 (E_RNA)
where:
Base-Base interactions energy: -1449.060
where: short stacking energy: -598.821
Base-Backbone interact. energy: -3.262
local terms energy: -587.432740
where:
bonds (distance) C4'-P energy: -117.635
bonds (distance) P-C4' energy: -105.911
flat angles C4'-P-C4' energy: -127.256
flat angles P-C4'-P energy: -86.095
tors. eta vs tors. theta energy: -150.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1644.946979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.946979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.946979 (E_RNA)
where:
Base-Base interactions energy: -1105.932
where: short stacking energy: -486.132
Base-Backbone interact. energy: -2.035
local terms energy: -536.979957
where:
bonds (distance) C4'-P energy: -112.322
bonds (distance) P-C4' energy: -123.215
flat angles C4'-P-C4' energy: -125.994
flat angles P-C4'-P energy: -76.679
tors. eta vs tors. theta energy: -98.770
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: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1323.627515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.627515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.627515 (E_RNA)
where:
Base-Base interactions energy: -866.253
where: short stacking energy: -392.581
Base-Backbone interact. energy: -1.351
local terms energy: -456.023339
where:
bonds (distance) C4'-P energy: -104.411
bonds (distance) P-C4' energy: -107.881
flat angles C4'-P-C4' energy: -107.552
flat angles P-C4'-P energy: -72.512
tors. eta vs tors. theta energy: -63.666
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: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -1210.194856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.194856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.194856 (E_RNA)
where:
Base-Base interactions energy: -751.512
where: short stacking energy: -349.437
Base-Backbone interact. energy: -2.430
local terms energy: -456.253072
where:
bonds (distance) C4'-P energy: -110.754
bonds (distance) P-C4' energy: -126.632
flat angles C4'-P-C4' energy: -106.077
flat angles P-C4'-P energy: -62.576
tors. eta vs tors. theta energy: -50.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2597.805069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.805069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.805069 (E_RNA)
where:
Base-Base interactions energy: -1854.047
where: short stacking energy: -760.108
Base-Backbone interact. energy: -0.474
local terms energy: -743.284849
where:
bonds (distance) C4'-P energy: -130.630
bonds (distance) P-C4' energy: -139.357
flat angles C4'-P-C4' energy: -159.297
flat angles P-C4'-P energy: -106.317
tors. eta vs tors. theta energy: -207.684
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: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2526.661838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.661838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.661838 (E_RNA)
where:
Base-Base interactions energy: -1779.094
where: short stacking energy: -755.917
Base-Backbone interact. energy: -3.536
local terms energy: -744.031302
where:
bonds (distance) C4'-P energy: -133.383
bonds (distance) P-C4' energy: -132.571
flat angles C4'-P-C4' energy: -162.335
flat angles P-C4'-P energy: -98.947
tors. eta vs tors. theta energy: -216.795
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: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -2437.683701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.683701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.683701 (E_RNA)
where:
Base-Base interactions energy: -1691.048
where: short stacking energy: -735.002
Base-Backbone interact. energy: -3.780
local terms energy: -742.855326
where:
bonds (distance) C4'-P energy: -118.931
bonds (distance) P-C4' energy: -144.564
flat angles C4'-P-C4' energy: -156.394
flat angles P-C4'-P energy: -106.277
tors. eta vs tors. theta energy: -216.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2408.464237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.464237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.464237 (E_RNA)
where:
Base-Base interactions energy: -1695.613
where: short stacking energy: -717.992
Base-Backbone interact. energy: 0.451
local terms energy: -713.302252
where:
bonds (distance) C4'-P energy: -125.849
bonds (distance) P-C4' energy: -133.623
flat angles C4'-P-C4' energy: -147.825
flat angles P-C4'-P energy: -99.075
tors. eta vs tors. theta energy: -206.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2176.864388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.864388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.864388 (E_RNA)
where:
Base-Base interactions energy: -1560.649
where: short stacking energy: -649.566
Base-Backbone interact. energy: 9.157
local terms energy: -625.371914
where:
bonds (distance) C4'-P energy: -130.506
bonds (distance) P-C4' energy: -103.993
flat angles C4'-P-C4' energy: -140.640
flat angles P-C4'-P energy: -92.789
tors. eta vs tors. theta energy: -157.444
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: 9
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -2074.344471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.344471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.344471 (E_RNA)
where:
Base-Base interactions energy: -1443.003
where: short stacking energy: -572.094
Base-Backbone interact. energy: -7.737
local terms energy: -623.604880
where:
bonds (distance) C4'-P energy: -126.104
bonds (distance) P-C4' energy: -115.443
flat angles C4'-P-C4' energy: -133.694
flat angles P-C4'-P energy: -106.338
tors. eta vs tors. theta energy: -142.026
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: 3
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1960.133806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.133806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.133806 (E_RNA)
where:
Base-Base interactions energy: -1363.002
where: short stacking energy: -566.044
Base-Backbone interact. energy: -5.502
local terms energy: -591.629688
where:
bonds (distance) C4'-P energy: -132.379
bonds (distance) P-C4' energy: -111.512
flat angles C4'-P-C4' energy: -133.135
flat angles P-C4'-P energy: -74.964
tors. eta vs tors. theta energy: -139.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1610.409699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.409699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.409699 (E_RNA)
where:
Base-Base interactions energy: -1070.721
where: short stacking energy: -462.087
Base-Backbone interact. energy: 0.471
local terms energy: -540.159740
where:
bonds (distance) C4'-P energy: -130.877
bonds (distance) P-C4' energy: -117.325
flat angles C4'-P-C4' energy: -119.606
flat angles P-C4'-P energy: -70.834
tors. eta vs tors. theta energy: -101.518
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: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1274.273284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.273284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.273284 (E_RNA)
where:
Base-Base interactions energy: -814.638
where: short stacking energy: -373.829
Base-Backbone interact. energy: 1.812
local terms energy: -461.447398
where:
bonds (distance) C4'-P energy: -111.139
bonds (distance) P-C4' energy: -117.881
flat angles C4'-P-C4' energy: -101.134
flat angles P-C4'-P energy: -71.478
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -1119.340360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.340360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.340360 (E_RNA)
where:
Base-Base interactions energy: -648.975
where: short stacking energy: -308.177
Base-Backbone interact. energy: -0.340
local terms energy: -470.025129
where:
bonds (distance) C4'-P energy: -96.675
bonds (distance) P-C4' energy: -113.407
flat angles C4'-P-C4' energy: -123.702
flat angles P-C4'-P energy: -71.028
tors. eta vs tors. theta energy: -65.213
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2611.037104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.037104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.037104 (E_RNA)
where:
Base-Base interactions energy: -1836.895
where: short stacking energy: -745.371
Base-Backbone interact. energy: -3.839
local terms energy: -770.303830
where:
bonds (distance) C4'-P energy: -129.369
bonds (distance) P-C4' energy: -147.126
flat angles C4'-P-C4' energy: -175.202
flat angles P-C4'-P energy: -120.378
tors. eta vs tors. theta energy: -198.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2551.343049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.343049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.343049 (E_RNA)
where:
Base-Base interactions energy: -1811.738
where: short stacking energy: -761.410
Base-Backbone interact. energy: -3.863
local terms energy: -735.742728
where:
bonds (distance) C4'-P energy: -123.371
bonds (distance) P-C4' energy: -140.546
flat angles C4'-P-C4' energy: -166.085
flat angles P-C4'-P energy: -96.243
tors. eta vs tors. theta energy: -209.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2446.888437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.888437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.888437 (E_RNA)
where:
Base-Base interactions energy: -1718.107
where: short stacking energy: -747.507
Base-Backbone interact. energy: 0.830
local terms energy: -729.611488
where:
bonds (distance) C4'-P energy: -122.392
bonds (distance) P-C4' energy: -129.875
flat angles C4'-P-C4' energy: -158.879
flat angles P-C4'-P energy: -95.847
tors. eta vs tors. theta energy: -222.618
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: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2344.985400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.985400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.985400 (E_RNA)
where:
Base-Base interactions energy: -1672.596
where: short stacking energy: -697.520
Base-Backbone interact. energy: -3.168
local terms energy: -669.221621
where:
bonds (distance) C4'-P energy: -120.411
bonds (distance) P-C4' energy: -125.080
flat angles C4'-P-C4' energy: -135.417
flat angles P-C4'-P energy: -97.988
tors. eta vs tors. theta energy: -190.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2164.624309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.624309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.624309 (E_RNA)
where:
Base-Base interactions energy: -1487.657
where: short stacking energy: -654.173
Base-Backbone interact. energy: -0.539
local terms energy: -676.428169
where:
bonds (distance) C4'-P energy: -121.255
bonds (distance) P-C4' energy: -139.492
flat angles C4'-P-C4' energy: -146.739
flat angles P-C4'-P energy: -97.096
tors. eta vs tors. theta energy: -171.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -2108.238377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.238377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.238377 (E_RNA)
where:
Base-Base interactions energy: -1470.357
where: short stacking energy: -628.016
Base-Backbone interact. energy: -3.654
local terms energy: -634.226965
where:
bonds (distance) C4'-P energy: -128.130
bonds (distance) P-C4' energy: -121.071
flat angles C4'-P-C4' energy: -129.932
flat angles P-C4'-P energy: -90.813
tors. eta vs tors. theta energy: -164.281
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: 3
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -2004.084463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.084463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.084463 (E_RNA)
where:
Base-Base interactions energy: -1406.982
where: short stacking energy: -597.192
Base-Backbone interact. energy: 1.415
local terms energy: -598.516732
where:
bonds (distance) C4'-P energy: -126.582
bonds (distance) P-C4' energy: -101.555
flat angles C4'-P-C4' energy: -131.926
flat angles P-C4'-P energy: -95.062
tors. eta vs tors. theta energy: -143.391
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: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1601.913293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.913293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.913293 (E_RNA)
where:
Base-Base interactions energy: -1058.372
where: short stacking energy: -454.103
Base-Backbone interact. energy: 1.909
local terms energy: -545.450850
where:
bonds (distance) C4'-P energy: -112.960
bonds (distance) P-C4' energy: -127.941
flat angles C4'-P-C4' energy: -119.083
flat angles P-C4'-P energy: -92.120
tors. eta vs tors. theta energy: -93.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1256.955190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.955190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.955190 (E_RNA)
where:
Base-Base interactions energy: -803.804
where: short stacking energy: -358.106
Base-Backbone interact. energy: -2.484
local terms energy: -450.667664
where:
bonds (distance) C4'-P energy: -109.210
bonds (distance) P-C4' energy: -115.129
flat angles C4'-P-C4' energy: -117.328
flat angles P-C4'-P energy: -63.747
tors. eta vs tors. theta energy: -45.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -1053.771787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.771787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.771787 (E_RNA)
where:
Base-Base interactions energy: -629.851
where: short stacking energy: -312.956
Base-Backbone interact. energy: -0.195
local terms energy: -423.725466
where:
bonds (distance) C4'-P energy: -108.431
bonds (distance) P-C4' energy: -111.533
flat angles C4'-P-C4' energy: -113.934
flat angles P-C4'-P energy: -67.187
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2589.422762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.422762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.422762 (E_RNA)
where:
Base-Base interactions energy: -1838.716
where: short stacking energy: -748.437
Base-Backbone interact. energy: 6.767
local terms energy: -757.473978
where:
bonds (distance) C4'-P energy: -141.826
bonds (distance) P-C4' energy: -123.299
flat angles C4'-P-C4' energy: -171.163
flat angles P-C4'-P energy: -115.526
tors. eta vs tors. theta energy: -205.659
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: 449
Temperature: 0.950000
Total energy: -2528.683703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.683703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.683703 (E_RNA)
where:
Base-Base interactions energy: -1793.623
where: short stacking energy: -762.699
Base-Backbone interact. energy: -3.565
local terms energy: -731.495653
where:
bonds (distance) C4'-P energy: -122.859
bonds (distance) P-C4' energy: -138.584
flat angles C4'-P-C4' energy: -160.238
flat angles P-C4'-P energy: -102.601
tors. eta vs tors. theta energy: -207.213
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: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2393.775914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.775914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.775914 (E_RNA)
where:
Base-Base interactions energy: -1668.185
where: short stacking energy: -730.528
Base-Backbone interact. energy: -2.061
local terms energy: -723.530311
where:
bonds (distance) C4'-P energy: -116.117
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -149.976
flat angles P-C4'-P energy: -107.266
tors. eta vs tors. theta energy: -215.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2337.063872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.063872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.063872 (E_RNA)
where:
Base-Base interactions energy: -1660.144
where: short stacking energy: -676.031
Base-Backbone interact. energy: 0.507
local terms energy: -677.427050
where:
bonds (distance) C4'-P energy: -120.217
bonds (distance) P-C4' energy: -116.862
flat angles C4'-P-C4' energy: -148.043
flat angles P-C4'-P energy: -90.990
tors. eta vs tors. theta energy: -201.315
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: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2188.356790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.356790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.356790 (E_RNA)
where:
Base-Base interactions energy: -1514.461
where: short stacking energy: -615.692
Base-Backbone interact. energy: 1.531
local terms energy: -675.426899
where:
bonds (distance) C4'-P energy: -137.990
bonds (distance) P-C4' energy: -121.965
flat angles C4'-P-C4' energy: -143.349
flat angles P-C4'-P energy: -106.818
tors. eta vs tors. theta energy: -165.305
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: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -2070.402625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.402625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.402625 (E_RNA)
where:
Base-Base interactions energy: -1476.903
where: short stacking energy: -610.881
Base-Backbone interact. energy: 2.903
local terms energy: -596.402391
where:
bonds (distance) C4'-P energy: -119.868
bonds (distance) P-C4' energy: -110.051
flat angles C4'-P-C4' energy: -125.844
flat angles P-C4'-P energy: -88.706
tors. eta vs tors. theta energy: -151.933
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: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -2061.020878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.020878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.020878 (E_RNA)
where:
Base-Base interactions energy: -1450.830
where: short stacking energy: -595.884
Base-Backbone interact. energy: -0.378
local terms energy: -609.812814
where:
bonds (distance) C4'-P energy: -102.071
bonds (distance) P-C4' energy: -119.469
flat angles C4'-P-C4' energy: -141.227
flat angles P-C4'-P energy: -86.662
tors. eta vs tors. theta energy: -160.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1567.648038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.648038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.648038 (E_RNA)
where:
Base-Base interactions energy: -1060.464
where: short stacking energy: -448.251
Base-Backbone interact. energy: -3.089
local terms energy: -504.094655
where:
bonds (distance) C4'-P energy: -102.056
bonds (distance) P-C4' energy: -108.976
flat angles C4'-P-C4' energy: -129.211
flat angles P-C4'-P energy: -75.760
tors. eta vs tors. theta energy: -88.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1260.636249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.636249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.636249 (E_RNA)
where:
Base-Base interactions energy: -811.220
where: short stacking energy: -376.571
Base-Backbone interact. energy: -3.639
local terms energy: -445.777230
where:
bonds (distance) C4'-P energy: -104.872
bonds (distance) P-C4' energy: -131.987
flat angles C4'-P-C4' energy: -94.656
flat angles P-C4'-P energy: -68.047
tors. eta vs tors. theta energy: -46.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -1063.161597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.161597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.161597 (E_RNA)
where:
Base-Base interactions energy: -655.201
where: short stacking energy: -327.891
Base-Backbone interact. energy: -0.936
local terms energy: -407.024318
where:
bonds (distance) C4'-P energy: -89.042
bonds (distance) P-C4' energy: -94.121
flat angles C4'-P-C4' energy: -110.354
flat angles P-C4'-P energy: -73.028
tors. eta vs tors. theta energy: -40.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2605.216782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.216782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.216782 (E_RNA)
where:
Base-Base interactions energy: -1838.697
where: short stacking energy: -757.768
Base-Backbone interact. energy: -1.156
local terms energy: -765.363384
where:
bonds (distance) C4'-P energy: -139.051
bonds (distance) P-C4' energy: -145.847
flat angles C4'-P-C4' energy: -165.409
flat angles P-C4'-P energy: -109.448
tors. eta vs tors. theta energy: -205.608
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: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2521.930394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.930394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.930394 (E_RNA)
where:
Base-Base interactions energy: -1782.907
where: short stacking energy: -752.933
Base-Backbone interact. energy: -4.333
local terms energy: -734.690209
where:
bonds (distance) C4'-P energy: -123.791
bonds (distance) P-C4' energy: -140.057
flat angles C4'-P-C4' energy: -152.398
flat angles P-C4'-P energy: -105.363
tors. eta vs tors. theta energy: -213.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2437.438938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2437.438938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2437.438938 (E_RNA)
where:
Base-Base interactions energy: -1701.524
where: short stacking energy: -736.716
Base-Backbone interact. energy: -1.863
local terms energy: -734.052662
where:
bonds (distance) C4'-P energy: -138.413
bonds (distance) P-C4' energy: -111.020
flat angles C4'-P-C4' energy: -150.704
flat angles P-C4'-P energy: -100.512
tors. eta vs tors. theta energy: -233.404
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: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2416.333694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.333694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.333694 (E_RNA)
where:
Base-Base interactions energy: -1746.435
where: short stacking energy: -707.033
Base-Backbone interact. energy: -2.072
local terms energy: -667.826799
where:
bonds (distance) C4'-P energy: -122.614
bonds (distance) P-C4' energy: -117.229
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -90.358
tors. eta vs tors. theta energy: -193.686
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: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2139.286057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.286057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.286057 (E_RNA)
where:
Base-Base interactions energy: -1518.900
where: short stacking energy: -622.894
Base-Backbone interact. energy: -2.887
local terms energy: -617.499020
where:
bonds (distance) C4'-P energy: -123.718
bonds (distance) P-C4' energy: -109.663
flat angles C4'-P-C4' energy: -136.979
flat angles P-C4'-P energy: -86.645
tors. eta vs tors. theta energy: -160.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -2109.201715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.201715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.201715 (E_RNA)
where:
Base-Base interactions energy: -1488.321
where: short stacking energy: -634.762
Base-Backbone interact. energy: 3.199
local terms energy: -624.079411
where:
bonds (distance) C4'-P energy: -105.987
bonds (distance) P-C4' energy: -124.198
flat angles C4'-P-C4' energy: -140.059
flat angles P-C4'-P energy: -86.268
tors. eta vs tors. theta energy: -167.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -2095.262656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.262656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.262656 (E_RNA)
where:
Base-Base interactions energy: -1459.842
where: short stacking energy: -637.044
Base-Backbone interact. energy: -2.149
local terms energy: -633.271569
where:
bonds (distance) C4'-P energy: -98.263
bonds (distance) P-C4' energy: -139.013
flat angles C4'-P-C4' energy: -134.157
flat angles P-C4'-P energy: -98.472
tors. eta vs tors. theta energy: -163.367
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: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1603.465344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.465344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.465344 (E_RNA)
where:
Base-Base interactions energy: -1116.248
where: short stacking energy: -454.473
Base-Backbone interact. energy: -1.368
local terms energy: -485.849329
where:
bonds (distance) C4'-P energy: -101.604
bonds (distance) P-C4' energy: -109.960
flat angles C4'-P-C4' energy: -112.440
flat angles P-C4'-P energy: -72.886
tors. eta vs tors. theta energy: -88.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1261.199870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.199870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.199870 (E_RNA)
where:
Base-Base interactions energy: -812.241
where: short stacking energy: -348.424
Base-Backbone interact. energy: 0.434
local terms energy: -449.392890
where:
bonds (distance) C4'-P energy: -110.516
bonds (distance) P-C4' energy: -95.001
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -70.055
tors. eta vs tors. theta energy: -58.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -1034.577438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.577438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.577438 (E_RNA)
where:
Base-Base interactions energy: -615.089
where: short stacking energy: -338.196
Base-Backbone interact. energy: -0.017
local terms energy: -419.471822
where:
bonds (distance) C4'-P energy: -112.355
bonds (distance) P-C4' energy: -109.236
flat angles C4'-P-C4' energy: -115.487
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -42.908
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: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2608.099703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.099703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.099703 (E_RNA)
where:
Base-Base interactions energy: -1842.396
where: short stacking energy: -754.997
Base-Backbone interact. energy: -5.513
local terms energy: -760.190846
where:
bonds (distance) C4'-P energy: -125.102
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -162.959
flat angles P-C4'-P energy: -119.311
tors. eta vs tors. theta energy: -207.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2508.753064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.753064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.753064 (E_RNA)
where:
Base-Base interactions energy: -1736.970
where: short stacking energy: -753.033
Base-Backbone interact. energy: -1.379
local terms energy: -770.404355
where:
bonds (distance) C4'-P energy: -130.084
bonds (distance) P-C4' energy: -141.515
flat angles C4'-P-C4' energy: -157.886
flat angles P-C4'-P energy: -111.966
tors. eta vs tors. theta energy: -228.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2457.808795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.808795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.808795 (E_RNA)
where:
Base-Base interactions energy: -1714.537
where: short stacking energy: -722.096
Base-Backbone interact. energy: -5.984
local terms energy: -737.288284
where:
bonds (distance) C4'-P energy: -124.032
bonds (distance) P-C4' energy: -128.755
flat angles C4'-P-C4' energy: -155.896
flat angles P-C4'-P energy: -110.810
tors. eta vs tors. theta energy: -217.794
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: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2373.392681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.392681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.392681 (E_RNA)
where:
Base-Base interactions energy: -1678.096
where: short stacking energy: -697.451
Base-Backbone interact. energy: 3.934
local terms energy: -699.230626
where:
bonds (distance) C4'-P energy: -116.117
bonds (distance) P-C4' energy: -120.023
flat angles C4'-P-C4' energy: -147.068
flat angles P-C4'-P energy: -114.296
tors. eta vs tors. theta energy: -201.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2129.510475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.510475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.510475 (E_RNA)
where:
Base-Base interactions energy: -1515.833
where: short stacking energy: -609.816
Base-Backbone interact. energy: -3.646
local terms energy: -610.031270
where:
bonds (distance) C4'-P energy: -137.462
bonds (distance) P-C4' energy: -106.652
flat angles C4'-P-C4' energy: -131.008
flat angles P-C4'-P energy: -79.339
tors. eta vs tors. theta energy: -155.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -2120.668126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.668126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.668126 (E_RNA)
where:
Base-Base interactions energy: -1489.475
where: short stacking energy: -635.504
Base-Backbone interact. energy: -0.981
local terms energy: -630.211958
where:
bonds (distance) C4'-P energy: -117.056
bonds (distance) P-C4' energy: -115.417
flat angles C4'-P-C4' energy: -137.462
flat angles P-C4'-P energy: -99.856
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: 451
Temperature: 1.200000
Total energy: -2101.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.753845 (E_RNA)
where:
Base-Base interactions energy: -1503.727
where: short stacking energy: -615.735
Base-Backbone interact. energy: 1.757
local terms energy: -599.783786
where:
bonds (distance) C4'-P energy: -96.289
bonds (distance) P-C4' energy: -119.243
flat angles C4'-P-C4' energy: -137.347
flat angles P-C4'-P energy: -90.540
tors. eta vs tors. theta energy: -156.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1583.344529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.344529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.344529 (E_RNA)
where:
Base-Base interactions energy: -1044.144
where: short stacking energy: -440.239
Base-Backbone interact. energy: -0.739
local terms energy: -538.461647
where:
bonds (distance) C4'-P energy: -105.051
bonds (distance) P-C4' energy: -119.586
flat angles C4'-P-C4' energy: -137.251
flat angles P-C4'-P energy: -81.860
tors. eta vs tors. theta energy: -94.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1310.361378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.361378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.361378 (E_RNA)
where:
Base-Base interactions energy: -834.722
where: short stacking energy: -405.859
Base-Backbone interact. energy: 0.028
local terms energy: -475.667220
where:
bonds (distance) C4'-P energy: -105.434
bonds (distance) P-C4' energy: -113.267
flat angles C4'-P-C4' energy: -117.341
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -68.930
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: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -1060.560904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.560904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.560904 (E_RNA)
where:
Base-Base interactions energy: -648.357
where: short stacking energy: -316.867
Base-Backbone interact. energy: 4.743
local terms energy: -416.946530
where:
bonds (distance) C4'-P energy: -118.825
bonds (distance) P-C4' energy: -117.504
flat angles C4'-P-C4' energy: -110.609
flat angles P-C4'-P energy: -41.930
tors. eta vs tors. theta energy: -28.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2589.451072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.451072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.451072 (E_RNA)
where:
Base-Base interactions energy: -1847.232
where: short stacking energy: -756.109
Base-Backbone interact. energy: -2.080
local terms energy: -740.139197
where:
bonds (distance) C4'-P energy: -126.547
bonds (distance) P-C4' energy: -147.869
flat angles C4'-P-C4' energy: -152.684
flat angles P-C4'-P energy: -111.747
tors. eta vs tors. theta energy: -201.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2502.344864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.344864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.344864 (E_RNA)
where:
Base-Base interactions energy: -1729.720
where: short stacking energy: -745.806
Base-Backbone interact. energy: -2.552
local terms energy: -770.073009
where:
bonds (distance) C4'-P energy: -145.625
bonds (distance) P-C4' energy: -138.804
flat angles C4'-P-C4' energy: -152.528
flat angles P-C4'-P energy: -112.843
tors. eta vs tors. theta energy: -220.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2478.714423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.714423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.714423 (E_RNA)
where:
Base-Base interactions energy: -1746.597
where: short stacking energy: -739.566
Base-Backbone interact. energy: -0.530
local terms energy: -731.586955
where:
bonds (distance) C4'-P energy: -145.324
bonds (distance) P-C4' energy: -130.669
flat angles C4'-P-C4' energy: -142.758
flat angles P-C4'-P energy: -98.504
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: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2310.072883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.072883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.072883 (E_RNA)
where:
Base-Base interactions energy: -1633.394
where: short stacking energy: -709.509
Base-Backbone interact. energy: -1.116
local terms energy: -675.562940
where:
bonds (distance) C4'-P energy: -115.394
bonds (distance) P-C4' energy: -117.171
flat angles C4'-P-C4' energy: -151.608
flat angles P-C4'-P energy: -94.860
tors. eta vs tors. theta energy: -196.531
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2157.951856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.951856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.951856 (E_RNA)
where:
Base-Base interactions energy: -1504.481
where: short stacking energy: -639.523
Base-Backbone interact. energy: -3.531
local terms energy: -649.939573
where:
bonds (distance) C4'-P energy: -122.786
bonds (distance) P-C4' energy: -116.271
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -93.988
tors. eta vs tors. theta energy: -179.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -2122.725252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.725252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.725252 (E_RNA)
where:
Base-Base interactions energy: -1501.328
where: short stacking energy: -626.615
Base-Backbone interact. energy: 2.230
local terms energy: -623.627057
where:
bonds (distance) C4'-P energy: -114.494
bonds (distance) P-C4' energy: -106.850
flat angles C4'-P-C4' energy: -139.276
flat angles P-C4'-P energy: -92.890
tors. eta vs tors. theta energy: -170.118
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: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -2040.016928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.016928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.016928 (E_RNA)
where:
Base-Base interactions energy: -1425.991
where: short stacking energy: -603.926
Base-Backbone interact. energy: -1.986
local terms energy: -612.040216
where:
bonds (distance) C4'-P energy: -112.467
bonds (distance) P-C4' energy: -129.320
flat angles C4'-P-C4' energy: -136.076
flat angles P-C4'-P energy: -77.049
tors. eta vs tors. theta energy: -157.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1571.062541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.062541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.062541 (E_RNA)
where:
Base-Base interactions energy: -1055.605
where: short stacking energy: -459.040
Base-Backbone interact. energy: 1.127
local terms energy: -516.584604
where:
bonds (distance) C4'-P energy: -117.951
bonds (distance) P-C4' energy: -107.172
flat angles C4'-P-C4' energy: -123.045
flat angles P-C4'-P energy: -77.641
tors. eta vs tors. theta energy: -90.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1285.259451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.259451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.259451 (E_RNA)
where:
Base-Base interactions energy: -817.183
where: short stacking energy: -383.544
Base-Backbone interact. energy: -0.627
local terms energy: -467.449113
where:
bonds (distance) C4'-P energy: -109.725
bonds (distance) P-C4' energy: -124.659
flat angles C4'-P-C4' energy: -114.631
flat angles P-C4'-P energy: -66.301
tors. eta vs tors. theta energy: -52.133
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: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -1139.128325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.128325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.128325 (E_RNA)
where:
Base-Base interactions energy: -708.119
where: short stacking energy: -334.750
Base-Backbone interact. energy: -1.719
local terms energy: -429.290065
where:
bonds (distance) C4'-P energy: -106.237
bonds (distance) P-C4' energy: -125.099
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -50.448
tors. eta vs tors. theta energy: -48.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2620.900294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.900294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.900294 (E_RNA)
where:
Base-Base interactions energy: -1868.115
where: short stacking energy: -773.287
Base-Backbone interact. energy: -4.543
local terms energy: -748.241876
where:
bonds (distance) C4'-P energy: -128.238
bonds (distance) P-C4' energy: -144.516
flat angles C4'-P-C4' energy: -162.118
flat angles P-C4'-P energy: -103.476
tors. eta vs tors. theta energy: -209.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2500.065054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.065054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.065054 (E_RNA)
where:
Base-Base interactions energy: -1728.195
where: short stacking energy: -761.461
Base-Backbone interact. energy: -2.028
local terms energy: -769.841633
where:
bonds (distance) C4'-P energy: -141.219
bonds (distance) P-C4' energy: -134.913
flat angles C4'-P-C4' energy: -156.773
flat angles P-C4'-P energy: -106.098
tors. eta vs tors. theta energy: -230.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2461.349288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.349288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.349288 (E_RNA)
where:
Base-Base interactions energy: -1723.859
where: short stacking energy: -725.014
Base-Backbone interact. energy: 0.400
local terms energy: -737.889854
where:
bonds (distance) C4'-P energy: -140.102
bonds (distance) P-C4' energy: -132.495
flat angles C4'-P-C4' energy: -154.130
flat angles P-C4'-P energy: -103.326
tors. eta vs tors. theta energy: -207.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2341.542826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.542826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.542826 (E_RNA)
where:
Base-Base interactions energy: -1636.737
where: short stacking energy: -684.759
Base-Backbone interact. energy: -5.698
local terms energy: -699.107447
where:
bonds (distance) C4'-P energy: -128.873
bonds (distance) P-C4' energy: -128.742
flat angles C4'-P-C4' energy: -150.628
flat angles P-C4'-P energy: -99.430
tors. eta vs tors. theta energy: -191.434
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: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2159.198265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.198265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.198265 (E_RNA)
where:
Base-Base interactions energy: -1498.585
where: short stacking energy: -652.309
Base-Backbone interact. energy: -3.409
local terms energy: -657.204392
where:
bonds (distance) C4'-P energy: -122.865
bonds (distance) P-C4' energy: -117.689
flat angles C4'-P-C4' energy: -133.718
flat angles P-C4'-P energy: -99.254
tors. eta vs tors. theta energy: -183.678
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: 6, replica: 9
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -2129.031248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.031248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.031248 (E_RNA)
where:
Base-Base interactions energy: -1506.972
where: short stacking energy: -630.350
Base-Backbone interact. energy: -4.323
local terms energy: -617.735990
where:
bonds (distance) C4'-P energy: -100.453
bonds (distance) P-C4' energy: -124.057
flat angles C4'-P-C4' energy: -137.090
flat angles P-C4'-P energy: -89.876
tors. eta vs tors. theta energy: -166.260
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: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -2064.945679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.945679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.945679 (E_RNA)
where:
Base-Base interactions energy: -1486.452
where: short stacking energy: -629.144
Base-Backbone interact. energy: -2.420
local terms energy: -576.074285
where:
bonds (distance) C4'-P energy: -104.673
bonds (distance) P-C4' energy: -117.339
flat angles C4'-P-C4' energy: -126.337
flat angles P-C4'-P energy: -76.731
tors. eta vs tors. theta energy: -150.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1565.989672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.989672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.989672 (E_RNA)
where:
Base-Base interactions energy: -1062.613
where: short stacking energy: -457.717
Base-Backbone interact. energy: 0.594
local terms energy: -503.970810
where:
bonds (distance) C4'-P energy: -107.216
bonds (distance) P-C4' energy: -105.588
flat angles C4'-P-C4' energy: -129.413
flat angles P-C4'-P energy: -80.650
tors. eta vs tors. theta energy: -81.104
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: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1322.436859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.436859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.436859 (E_RNA)
where:
Base-Base interactions energy: -823.611
where: short stacking energy: -384.721
Base-Backbone interact. energy: 0.170
local terms energy: -498.995370
where:
bonds (distance) C4'-P energy: -108.951
bonds (distance) P-C4' energy: -115.785
flat angles C4'-P-C4' energy: -107.001
flat angles P-C4'-P energy: -96.227
tors. eta vs tors. theta energy: -71.031
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: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -1173.365906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.365906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.365906 (E_RNA)
where:
Base-Base interactions energy: -713.363
where: short stacking energy: -350.633
Base-Backbone interact. energy: -1.457
local terms energy: -458.545801
where:
bonds (distance) C4'-P energy: -117.092
bonds (distance) P-C4' energy: -125.634
flat angles C4'-P-C4' energy: -110.435
flat angles P-C4'-P energy: -70.531
tors. eta vs tors. theta energy: -34.854
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: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2596.162439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.162439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.162439 (E_RNA)
where:
Base-Base interactions energy: -1820.676
where: short stacking energy: -761.457
Base-Backbone interact. energy: -5.719
local terms energy: -769.767379
where:
bonds (distance) C4'-P energy: -137.090
bonds (distance) P-C4' energy: -144.808
flat angles C4'-P-C4' energy: -159.874
flat angles P-C4'-P energy: -117.152
tors. eta vs tors. theta energy: -210.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2489.526233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.526233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.526233 (E_RNA)
where:
Base-Base interactions energy: -1722.006
where: short stacking energy: -741.994
Base-Backbone interact. energy: -1.882
local terms energy: -765.637939
where:
bonds (distance) C4'-P energy: -126.676
bonds (distance) P-C4' energy: -136.315
flat angles C4'-P-C4' energy: -162.244
flat angles P-C4'-P energy: -115.154
tors. eta vs tors. theta energy: -225.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2436.150942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.150942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.150942 (E_RNA)
where:
Base-Base interactions energy: -1715.990
where: short stacking energy: -726.069
Base-Backbone interact. energy: -2.827
local terms energy: -717.333883
where:
bonds (distance) C4'-P energy: -130.553
bonds (distance) P-C4' energy: -129.827
flat angles C4'-P-C4' energy: -149.998
flat angles P-C4'-P energy: -102.143
tors. eta vs tors. theta energy: -204.813
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2316.026700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.026700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.026700 (E_RNA)
where:
Base-Base interactions energy: -1620.489
where: short stacking energy: -689.250
Base-Backbone interact. energy: -0.919
local terms energy: -694.618301
where:
bonds (distance) C4'-P energy: -133.836
bonds (distance) P-C4' energy: -131.312
flat angles C4'-P-C4' energy: -137.169
flat angles P-C4'-P energy: -88.180
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: 5, replica: 9
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2184.285663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.285663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.285663 (E_RNA)
where:
Base-Base interactions energy: -1529.037
where: short stacking energy: -618.826
Base-Backbone interact. energy: -0.253
local terms energy: -654.995797
where:
bonds (distance) C4'-P energy: -141.542
bonds (distance) P-C4' energy: -126.290
flat angles C4'-P-C4' energy: -134.607
flat angles P-C4'-P energy: -88.849
tors. eta vs tors. theta energy: -163.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -2138.303813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.303813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.303813 (E_RNA)
where:
Base-Base interactions energy: -1498.762
where: short stacking energy: -640.772
Base-Backbone interact. energy: -2.148
local terms energy: -637.393180
where:
bonds (distance) C4'-P energy: -136.443
bonds (distance) P-C4' energy: -106.666
flat angles C4'-P-C4' energy: -140.300
flat angles P-C4'-P energy: -91.076
tors. eta vs tors. theta energy: -162.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -2065.743929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.743929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.743929 (E_RNA)
where:
Base-Base interactions energy: -1433.722
where: short stacking energy: -611.190
Base-Backbone interact. energy: -2.298
local terms energy: -629.723644
where:
bonds (distance) C4'-P energy: -123.255
bonds (distance) P-C4' energy: -123.241
flat angles C4'-P-C4' energy: -126.084
flat angles P-C4'-P energy: -78.583
tors. eta vs tors. theta energy: -178.561
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: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1593.187693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.187693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.187693 (E_RNA)
where:
Base-Base interactions energy: -1071.917
where: short stacking energy: -464.400
Base-Backbone interact. energy: -0.155
local terms energy: -521.115558
where:
bonds (distance) C4'-P energy: -116.086
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -113.759
flat angles P-C4'-P energy: -69.160
tors. eta vs tors. theta energy: -121.860
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: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1385.997955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.997955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.997955 (E_RNA)
where:
Base-Base interactions energy: -919.697
where: short stacking energy: -410.647
Base-Backbone interact. energy: 2.603
local terms energy: -468.903914
where:
bonds (distance) C4'-P energy: -114.098
bonds (distance) P-C4' energy: -111.383
flat angles C4'-P-C4' energy: -98.713
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -70.224
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: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -1205.239655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.239655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.239655 (E_RNA)
where:
Base-Base interactions energy: -753.307
where: short stacking energy: -340.729
Base-Backbone interact. energy: 7.444
local terms energy: -459.376439
where:
bonds (distance) C4'-P energy: -108.041
bonds (distance) P-C4' energy: -119.596
flat angles C4'-P-C4' energy: -120.832
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: -59.787
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: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2591.140735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.140735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.140735 (E_RNA)
where:
Base-Base interactions energy: -1861.789
where: short stacking energy: -757.292
Base-Backbone interact. energy: 3.767
local terms energy: -733.118333
where:
bonds (distance) C4'-P energy: -145.379
bonds (distance) P-C4' energy: -130.288
flat angles C4'-P-C4' energy: -158.806
flat angles P-C4'-P energy: -101.840
tors. eta vs tors. theta energy: -196.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2502.763744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.763744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.763744 (E_RNA)
where:
Base-Base interactions energy: -1762.451
where: short stacking energy: -763.712
Base-Backbone interact. energy: -5.406
local terms energy: -734.906286
where:
bonds (distance) C4'-P energy: -120.549
bonds (distance) P-C4' energy: -142.596
flat angles C4'-P-C4' energy: -156.744
flat angles P-C4'-P energy: -109.042
tors. eta vs tors. theta energy: -205.975
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: 10
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2431.471790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.471790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.471790 (E_RNA)
where:
Base-Base interactions energy: -1698.334
where: short stacking energy: -730.552
Base-Backbone interact. energy: -1.433
local terms energy: -731.705248
where:
bonds (distance) C4'-P energy: -127.802
bonds (distance) P-C4' energy: -134.838
flat angles C4'-P-C4' energy: -154.512
flat angles P-C4'-P energy: -105.217
tors. eta vs tors. theta energy: -209.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2358.752191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.752191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.752191 (E_RNA)
where:
Base-Base interactions energy: -1636.814
where: short stacking energy: -680.254
Base-Backbone interact. energy: -0.944
local terms energy: -720.994781
where:
bonds (distance) C4'-P energy: -133.017
bonds (distance) P-C4' energy: -141.721
flat angles C4'-P-C4' energy: -151.199
flat angles P-C4'-P energy: -98.965
tors. eta vs tors. theta energy: -196.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2236.117495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.117495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.117495 (E_RNA)
where:
Base-Base interactions energy: -1585.763
where: short stacking energy: -675.905
Base-Backbone interact. energy: 1.785
local terms energy: -652.138531
where:
bonds (distance) C4'-P energy: -92.748
bonds (distance) P-C4' energy: -128.967
flat angles C4'-P-C4' energy: -145.273
flat angles P-C4'-P energy: -94.264
tors. eta vs tors. theta energy: -190.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -2088.277044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.277044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.277044 (E_RNA)
where:
Base-Base interactions energy: -1466.290
where: short stacking energy: -599.953
Base-Backbone interact. energy: 3.244
local terms energy: -625.231553
where:
bonds (distance) C4'-P energy: -125.893
bonds (distance) P-C4' energy: -118.220
flat angles C4'-P-C4' energy: -146.799
flat angles P-C4'-P energy: -78.986
tors. eta vs tors. theta energy: -155.333
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: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -2064.379911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.379911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.379911 (E_RNA)
where:
Base-Base interactions energy: -1438.851
where: short stacking energy: -612.452
Base-Backbone interact. energy: -2.115
local terms energy: -623.413993
where:
bonds (distance) C4'-P energy: -106.354
bonds (distance) P-C4' energy: -127.799
flat angles C4'-P-C4' energy: -140.355
flat angles P-C4'-P energy: -79.254
tors. eta vs tors. theta energy: -169.652
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: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1595.802755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.802755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.802755 (E_RNA)
where:
Base-Base interactions energy: -1069.783
where: short stacking energy: -443.448
Base-Backbone interact. energy: 6.893
local terms energy: -532.913515
where:
bonds (distance) C4'-P energy: -110.505
bonds (distance) P-C4' energy: -123.947
flat angles C4'-P-C4' energy: -127.231
flat angles P-C4'-P energy: -78.667
tors. eta vs tors. theta energy: -92.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1369.666424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.666424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.666424 (E_RNA)
where:
Base-Base interactions energy: -948.451
where: short stacking energy: -431.872
Base-Backbone interact. energy: 0.039
local terms energy: -421.254392
where:
bonds (distance) C4'-P energy: -94.082
bonds (distance) P-C4' energy: -108.270
flat angles C4'-P-C4' energy: -68.295
flat angles P-C4'-P energy: -64.483
tors. eta vs tors. theta energy: -86.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -1201.568603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.568603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.568603 (E_RNA)
where:
Base-Base interactions energy: -747.244
where: short stacking energy: -364.426
Base-Backbone interact. energy: -1.229
local terms energy: -453.095473
where:
bonds (distance) C4'-P energy: -110.013
bonds (distance) P-C4' energy: -117.409
flat angles C4'-P-C4' energy: -106.842
flat angles P-C4'-P energy: -61.425
tors. eta vs tors. theta energy: -57.408
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: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2613.101643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.101643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.101643 (E_RNA)
where:
Base-Base interactions energy: -1833.508
where: short stacking energy: -758.576
Base-Backbone interact. energy: -4.023
local terms energy: -775.570430
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -145.709
flat angles C4'-P-C4' energy: -163.883
flat angles P-C4'-P energy: -115.869
tors. eta vs tors. theta energy: -217.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2493.332985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.332985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.332985 (E_RNA)
where:
Base-Base interactions energy: -1760.428
where: short stacking energy: -738.976
Base-Backbone interact. energy: -1.477
local terms energy: -731.428218
where:
bonds (distance) C4'-P energy: -136.790
bonds (distance) P-C4' energy: -145.485
flat angles C4'-P-C4' energy: -154.677
flat angles P-C4'-P energy: -90.926
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: 3, replica: 10
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2449.981271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.981271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.981271 (E_RNA)
where:
Base-Base interactions energy: -1731.868
where: short stacking energy: -745.697
Base-Backbone interact. energy: -0.341
local terms energy: -717.772494
where:
bonds (distance) C4'-P energy: -117.219
bonds (distance) P-C4' energy: -135.289
flat angles C4'-P-C4' energy: -152.831
flat angles P-C4'-P energy: -95.581
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: 4, replica: 2
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2406.253428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.253428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.253428 (E_RNA)
where:
Base-Base interactions energy: -1694.481
where: short stacking energy: -722.910
Base-Backbone interact. energy: -2.589
local terms energy: -709.183530
where:
bonds (distance) C4'-P energy: -131.246
bonds (distance) P-C4' energy: -115.810
flat angles C4'-P-C4' energy: -155.692
flat angles P-C4'-P energy: -97.150
tors. eta vs tors. theta energy: -209.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2242.900535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.900535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.900535 (E_RNA)
where:
Base-Base interactions energy: -1604.643
where: short stacking energy: -671.193
Base-Backbone interact. energy: -3.860
local terms energy: -634.396865
where:
bonds (distance) C4'-P energy: -91.422
bonds (distance) P-C4' energy: -120.661
flat angles C4'-P-C4' energy: -138.570
flat angles P-C4'-P energy: -94.904
tors. eta vs tors. theta energy: -188.840
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -2128.602100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.602100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.602100 (E_RNA)
where:
Base-Base interactions energy: -1546.264
where: short stacking energy: -653.153
Base-Backbone interact. energy: -1.092
local terms energy: -581.245937
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -132.004
flat angles P-C4'-P energy: -60.760
tors. eta vs tors. theta energy: -169.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -2116.791923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.791923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.791923 (E_RNA)
where:
Base-Base interactions energy: -1510.832
where: short stacking energy: -621.568
Base-Backbone interact. energy: 1.806
local terms energy: -607.765387
where:
bonds (distance) C4'-P energy: -110.496
bonds (distance) P-C4' energy: -97.365
flat angles C4'-P-C4' energy: -150.295
flat angles P-C4'-P energy: -77.857
tors. eta vs tors. theta energy: -171.753
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: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1635.021892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.021892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.021892 (E_RNA)
where:
Base-Base interactions energy: -1114.976
where: short stacking energy: -476.623
Base-Backbone interact. energy: 0.861
local terms energy: -520.906728
where:
bonds (distance) C4'-P energy: -96.010
bonds (distance) P-C4' energy: -129.068
flat angles C4'-P-C4' energy: -129.343
flat angles P-C4'-P energy: -72.218
tors. eta vs tors. theta energy: -94.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1392.252920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.252920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.252920 (E_RNA)
where:
Base-Base interactions energy: -920.697
where: short stacking energy: -428.788
Base-Backbone interact. energy: 0.440
local terms energy: -471.995869
where:
bonds (distance) C4'-P energy: -106.690
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -110.885
flat angles P-C4'-P energy: -63.471
tors. eta vs tors. theta energy: -84.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -1223.560653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.560653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.560653 (E_RNA)
where:
Base-Base interactions energy: -774.278
where: short stacking energy: -370.750
Base-Backbone interact. energy: 1.968
local terms energy: -451.250280
where:
bonds (distance) C4'-P energy: -84.191
bonds (distance) P-C4' energy: -120.118
flat angles C4'-P-C4' energy: -121.277
flat angles P-C4'-P energy: -64.272
tors. eta vs tors. theta energy: -61.393
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: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2589.388655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.388655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.388655 (E_RNA)
where:
Base-Base interactions energy: -1848.166
where: short stacking energy: -767.797
Base-Backbone interact. energy: 0.443
local terms energy: -741.666309
where:
bonds (distance) C4'-P energy: -133.571
bonds (distance) P-C4' energy: -138.052
flat angles C4'-P-C4' energy: -167.444
flat angles P-C4'-P energy: -97.061
tors. eta vs tors. theta energy: -205.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2490.177550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.177550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.177550 (E_RNA)
where:
Base-Base interactions energy: -1750.614
where: short stacking energy: -747.312
Base-Backbone interact. energy: -1.031
local terms energy: -738.532835
where:
bonds (distance) C4'-P energy: -135.124
bonds (distance) P-C4' energy: -129.162
flat angles C4'-P-C4' energy: -151.583
flat angles P-C4'-P energy: -103.812
tors. eta vs tors. theta energy: -218.853
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: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2455.984483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.984483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.984483 (E_RNA)
where:
Base-Base interactions energy: -1734.721
where: short stacking energy: -727.677
Base-Backbone interact. energy: 0.121
local terms energy: -721.383808
where:
bonds (distance) C4'-P energy: -117.817
bonds (distance) P-C4' energy: -130.023
flat angles C4'-P-C4' energy: -152.262
flat angles P-C4'-P energy: -115.684
tors. eta vs tors. theta energy: -205.598
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: 2
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -2334.924873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.924873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.924873 (E_RNA)
where:
Base-Base interactions energy: -1681.424
where: short stacking energy: -697.985
Base-Backbone interact. energy: -3.430
local terms energy: -650.071421
where:
bonds (distance) C4'-P energy: -121.418
bonds (distance) P-C4' energy: -105.232
flat angles C4'-P-C4' energy: -155.338
flat angles P-C4'-P energy: -71.527
tors. eta vs tors. theta energy: -196.556
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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2267.433352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.433352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.433352 (E_RNA)
where:
Base-Base interactions energy: -1573.969
where: short stacking energy: -648.111
Base-Backbone interact. energy: -3.277
local terms energy: -690.186647
where:
bonds (distance) C4'-P energy: -133.391
bonds (distance) P-C4' energy: -133.429
flat angles C4'-P-C4' energy: -149.743
flat angles P-C4'-P energy: -95.109
tors. eta vs tors. theta energy: -178.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -2141.418402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.418402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.418402 (E_RNA)
where:
Base-Base interactions energy: -1516.584
where: short stacking energy: -639.026
Base-Backbone interact. energy: -0.262
local terms energy: -624.572393
where:
bonds (distance) C4'-P energy: -99.605
bonds (distance) P-C4' energy: -119.144
flat angles C4'-P-C4' energy: -137.851
flat angles P-C4'-P energy: -89.821
tors. eta vs tors. theta energy: -178.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -2050.283567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.283567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.283567 (E_RNA)
where:
Base-Base interactions energy: -1456.782
where: short stacking energy: -577.348
Base-Backbone interact. energy: -1.213
local terms energy: -592.289040
where:
bonds (distance) C4'-P energy: -123.389
bonds (distance) P-C4' energy: -114.329
flat angles C4'-P-C4' energy: -127.755
flat angles P-C4'-P energy: -87.040
tors. eta vs tors. theta energy: -139.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1696.315040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.315040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.315040 (E_RNA)
where:
Base-Base interactions energy: -1129.660
where: short stacking energy: -499.214
Base-Backbone interact. energy: -4.349
local terms energy: -562.306086
where:
bonds (distance) C4'-P energy: -119.204
bonds (distance) P-C4' energy: -117.858
flat angles C4'-P-C4' energy: -120.026
flat angles P-C4'-P energy: -86.987
tors. eta vs tors. theta energy: -118.230
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: 4
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1302.607400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.607400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.607400 (E_RNA)
where:
Base-Base interactions energy: -818.650
where: short stacking energy: -372.924
Base-Backbone interact. energy: -4.854
local terms energy: -479.103396
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -124.534
flat angles C4'-P-C4' energy: -115.360
flat angles P-C4'-P energy: -77.467
tors. eta vs tors. theta energy: -51.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -1134.377720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.377720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.377720 (E_RNA)
where:
Base-Base interactions energy: -679.790
where: short stacking energy: -301.753
Base-Backbone interact. energy: -2.101
local terms energy: -452.486474
where:
bonds (distance) C4'-P energy: -108.028
bonds (distance) P-C4' energy: -118.073
flat angles C4'-P-C4' energy: -124.442
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -51.653
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: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2593.190493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.190493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.190493 (E_RNA)
where:
Base-Base interactions energy: -1830.501
where: short stacking energy: -759.786
Base-Backbone interact. energy: -4.801
local terms energy: -757.887950
where:
bonds (distance) C4'-P energy: -129.533
bonds (distance) P-C4' energy: -140.651
flat angles C4'-P-C4' energy: -162.402
flat angles P-C4'-P energy: -111.370
tors. eta vs tors. theta energy: -213.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2530.864384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.864384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.864384 (E_RNA)
where:
Base-Base interactions energy: -1783.761
where: short stacking energy: -797.648
Base-Backbone interact. energy: -1.369
local terms energy: -745.734919
where:
bonds (distance) C4'-P energy: -133.220
bonds (distance) P-C4' energy: -133.560
flat angles C4'-P-C4' energy: -147.809
flat angles P-C4'-P energy: -102.069
tors. eta vs tors. theta energy: -229.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2449.093519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.093519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.093519 (E_RNA)
where:
Base-Base interactions energy: -1748.928
where: short stacking energy: -750.990
Base-Backbone interact. energy: -0.444
local terms energy: -699.721998
where:
bonds (distance) C4'-P energy: -126.657
bonds (distance) P-C4' energy: -133.077
flat angles C4'-P-C4' energy: -146.934
flat angles P-C4'-P energy: -90.077
tors. eta vs tors. theta energy: -202.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2359.445839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.445839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.445839 (E_RNA)
where:
Base-Base interactions energy: -1652.910
where: short stacking energy: -726.493
Base-Backbone interact. energy: -4.189
local terms energy: -702.346559
where:
bonds (distance) C4'-P energy: -123.697
bonds (distance) P-C4' energy: -138.719
flat angles C4'-P-C4' energy: -145.829
flat angles P-C4'-P energy: -92.884
tors. eta vs tors. theta energy: -201.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2288.072637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.072637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.072637 (E_RNA)
where:
Base-Base interactions energy: -1619.784
where: short stacking energy: -690.885
Base-Backbone interact. energy: -2.384
local terms energy: -665.904666
where:
bonds (distance) C4'-P energy: -126.722
bonds (distance) P-C4' energy: -109.156
flat angles C4'-P-C4' energy: -145.238
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -193.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -2113.904234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.904234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.904234 (E_RNA)
where:
Base-Base interactions energy: -1495.506
where: short stacking energy: -616.397
Base-Backbone interact. energy: 0.295
local terms energy: -618.693264
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -134.279
flat angles C4'-P-C4' energy: -131.218
flat angles P-C4'-P energy: -75.039
tors. eta vs tors. theta energy: -163.041
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: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -2016.494130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.494130 (E_RNA)
where:
Base-Base interactions energy: -1431.223
where: short stacking energy: -590.504
Base-Backbone interact. energy: -2.668
local terms energy: -582.602964
where:
bonds (distance) C4'-P energy: -118.717
bonds (distance) P-C4' energy: -100.860
flat angles C4'-P-C4' energy: -141.214
flat angles P-C4'-P energy: -76.192
tors. eta vs tors. theta energy: -145.621
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: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1602.048938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.048938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.048938 (E_RNA)
where:
Base-Base interactions energy: -1088.872
where: short stacking energy: -466.424
Base-Backbone interact. energy: -2.238
local terms energy: -510.938599
where:
bonds (distance) C4'-P energy: -108.035
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -130.124
flat angles P-C4'-P energy: -54.581
tors. eta vs tors. theta energy: -89.894
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: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1267.405676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.405676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.405676 (E_RNA)
where:
Base-Base interactions energy: -804.652
where: short stacking energy: -365.130
Base-Backbone interact. energy: 0.984
local terms energy: -463.738287
where:
bonds (distance) C4'-P energy: -113.279
bonds (distance) P-C4' energy: -121.011
flat angles C4'-P-C4' energy: -118.441
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -49.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -1244.605045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.605045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.605045 (E_RNA)
where:
Base-Base interactions energy: -814.621
where: short stacking energy: -385.814
Base-Backbone interact. energy: -1.109
local terms energy: -428.874970
where:
bonds (distance) C4'-P energy: -96.824
bonds (distance) P-C4' energy: -88.828
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -64.764
tors. eta vs tors. theta energy: -78.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2566.328563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.328563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.328563 (E_RNA)
where:
Base-Base interactions energy: -1814.129
where: short stacking energy: -738.123
Base-Backbone interact. energy: -4.394
local terms energy: -747.805359
where:
bonds (distance) C4'-P energy: -135.122
bonds (distance) P-C4' energy: -137.097
flat angles C4'-P-C4' energy: -159.597
flat angles P-C4'-P energy: -105.647
tors. eta vs tors. theta energy: -210.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2518.434131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.434131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.434131 (E_RNA)
where:
Base-Base interactions energy: -1778.748
where: short stacking energy: -746.583
Base-Backbone interact. energy: -4.854
local terms energy: -734.832816
where:
bonds (distance) C4'-P energy: -135.339
bonds (distance) P-C4' energy: -142.617
flat angles C4'-P-C4' energy: -155.823
flat angles P-C4'-P energy: -99.319
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: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2467.519171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.519171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.519171 (E_RNA)
where:
Base-Base interactions energy: -1711.134
where: short stacking energy: -750.182
Base-Backbone interact. energy: -1.263
local terms energy: -755.122318
where:
bonds (distance) C4'-P energy: -132.276
bonds (distance) P-C4' energy: -128.877
flat angles C4'-P-C4' energy: -166.433
flat angles P-C4'-P energy: -92.103
tors. eta vs tors. theta energy: -235.433
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2376.058206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.058206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.058206 (E_RNA)
where:
Base-Base interactions energy: -1682.548
where: short stacking energy: -688.018
Base-Backbone interact. energy: 0.406
local terms energy: -693.916305
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -122.017
flat angles C4'-P-C4' energy: -138.983
flat angles P-C4'-P energy: -110.644
tors. eta vs tors. theta energy: -209.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2288.104105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.104105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.104105 (E_RNA)
where:
Base-Base interactions energy: -1620.858
where: short stacking energy: -691.702
Base-Backbone interact. energy: 3.244
local terms energy: -670.489684
where:
bonds (distance) C4'-P energy: -102.216
bonds (distance) P-C4' energy: -126.462
flat angles C4'-P-C4' energy: -144.736
flat angles P-C4'-P energy: -103.970
tors. eta vs tors. theta energy: -193.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -2170.592194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.592194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.592194 (E_RNA)
where:
Base-Base interactions energy: -1540.256
where: short stacking energy: -634.560
Base-Backbone interact. energy: -1.382
local terms energy: -628.954254
where:
bonds (distance) C4'-P energy: -130.328
bonds (distance) P-C4' energy: -102.978
flat angles C4'-P-C4' energy: -139.376
flat angles P-C4'-P energy: -83.780
tors. eta vs tors. theta energy: -172.491
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: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -2056.779729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.779729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.779729 (E_RNA)
where:
Base-Base interactions energy: -1461.970
where: short stacking energy: -602.913
Base-Backbone interact. energy: 1.307
local terms energy: -596.116505
where:
bonds (distance) C4'-P energy: -109.374
bonds (distance) P-C4' energy: -121.496
flat angles C4'-P-C4' energy: -132.292
flat angles P-C4'-P energy: -82.727
tors. eta vs tors. theta energy: -150.227
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: 1
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1559.536098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.536098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.536098 (E_RNA)
where:
Base-Base interactions energy: -1052.447
where: short stacking energy: -450.494
Base-Backbone interact. energy: -0.801
local terms energy: -506.288379
where:
bonds (distance) C4'-P energy: -107.085
bonds (distance) P-C4' energy: -110.513
flat angles C4'-P-C4' energy: -121.438
flat angles P-C4'-P energy: -80.107
tors. eta vs tors. theta energy: -87.146
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: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1305.463020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.463020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.463020 (E_RNA)
where:
Base-Base interactions energy: -824.914
where: short stacking energy: -374.692
Base-Backbone interact. energy: -4.032
local terms energy: -476.517042
where:
bonds (distance) C4'-P energy: -94.849
bonds (distance) P-C4' energy: -125.798
flat angles C4'-P-C4' energy: -123.789
flat angles P-C4'-P energy: -72.181
tors. eta vs tors. theta energy: -59.900
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: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -1240.921498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.921498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.921498 (E_RNA)
where:
Base-Base interactions energy: -805.609
where: short stacking energy: -368.541
Base-Backbone interact. energy: 2.362
local terms energy: -437.674228
where:
bonds (distance) C4'-P energy: -113.605
bonds (distance) P-C4' energy: -100.498
flat angles C4'-P-C4' energy: -103.340
flat angles P-C4'-P energy: -60.145
tors. eta vs tors. theta energy: -60.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2557.904601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.904601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.904601 (E_RNA)
where:
Base-Base interactions energy: -1802.932
where: short stacking energy: -754.771
Base-Backbone interact. energy: -4.817
local terms energy: -750.155247
where:
bonds (distance) C4'-P energy: -132.915
bonds (distance) P-C4' energy: -141.338
flat angles C4'-P-C4' energy: -169.032
flat angles P-C4'-P energy: -101.103
tors. eta vs tors. theta energy: -205.768
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: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2547.692664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.692664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.692664 (E_RNA)
where:
Base-Base interactions energy: -1840.130
where: short stacking energy: -744.647
Base-Backbone interact. energy: -3.688
local terms energy: -703.874515
where:
bonds (distance) C4'-P energy: -122.122
bonds (distance) P-C4' energy: -130.242
flat angles C4'-P-C4' energy: -162.120
flat angles P-C4'-P energy: -88.580
tors. eta vs tors. theta energy: -200.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2465.291103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.291103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.291103 (E_RNA)
where:
Base-Base interactions energy: -1713.722
where: short stacking energy: -736.917
Base-Backbone interact. energy: -1.607
local terms energy: -749.961817
where:
bonds (distance) C4'-P energy: -148.089
bonds (distance) P-C4' energy: -133.448
flat angles C4'-P-C4' energy: -151.452
flat angles P-C4'-P energy: -91.320
tors. eta vs tors. theta energy: -225.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2354.553992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.553992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.553992 (E_RNA)
where:
Base-Base interactions energy: -1674.064
where: short stacking energy: -689.349
Base-Backbone interact. energy: 5.600
local terms energy: -686.090401
where:
bonds (distance) C4'-P energy: -112.059
bonds (distance) P-C4' energy: -116.042
flat angles C4'-P-C4' energy: -160.381
flat angles P-C4'-P energy: -106.270
tors. eta vs tors. theta energy: -191.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2256.652983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.652983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.652983 (E_RNA)
where:
Base-Base interactions energy: -1600.805
where: short stacking energy: -678.045
Base-Backbone interact. energy: -0.497
local terms energy: -655.351176
where:
bonds (distance) C4'-P energy: -117.730
bonds (distance) P-C4' energy: -127.079
flat angles C4'-P-C4' energy: -126.161
flat angles P-C4'-P energy: -90.442
tors. eta vs tors. theta energy: -193.938
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: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -2215.436519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.436519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.436519 (E_RNA)
where:
Base-Base interactions energy: -1549.199
where: short stacking energy: -654.271
Base-Backbone interact. energy: -3.117
local terms energy: -663.120382
where:
bonds (distance) C4'-P energy: -131.994
bonds (distance) P-C4' energy: -119.181
flat angles C4'-P-C4' energy: -135.901
flat angles P-C4'-P energy: -85.508
tors. eta vs tors. theta energy: -190.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -2023.360157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.360157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.360157 (E_RNA)
where:
Base-Base interactions energy: -1448.349
where: short stacking energy: -590.563
Base-Backbone interact. energy: -1.503
local terms energy: -573.508038
where:
bonds (distance) C4'-P energy: -117.537
bonds (distance) P-C4' energy: -114.793
flat angles C4'-P-C4' energy: -139.172
flat angles P-C4'-P energy: -58.260
tors. eta vs tors. theta energy: -143.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1547.592689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.592689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.592689 (E_RNA)
where:
Base-Base interactions energy: -1044.590
where: short stacking energy: -431.096
Base-Backbone interact. energy: 0.461
local terms energy: -503.463511
where:
bonds (distance) C4'-P energy: -111.169
bonds (distance) P-C4' energy: -117.135
flat angles C4'-P-C4' energy: -110.235
flat angles P-C4'-P energy: -85.912
tors. eta vs tors. theta energy: -79.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1276.566744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.566744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.566744 (E_RNA)
where:
Base-Base interactions energy: -803.579
where: short stacking energy: -390.363
Base-Backbone interact. energy: -2.153
local terms energy: -470.834865
where:
bonds (distance) C4'-P energy: -112.193
bonds (distance) P-C4' energy: -106.196
flat angles C4'-P-C4' energy: -108.540
flat angles P-C4'-P energy: -68.016
tors. eta vs tors. theta energy: -75.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -1122.761718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.761718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.761718 (E_RNA)
where:
Base-Base interactions energy: -704.090
where: short stacking energy: -316.698
Base-Backbone interact. energy: 1.570
local terms energy: -420.241678
where:
bonds (distance) C4'-P energy: -101.576
bonds (distance) P-C4' energy: -122.637
flat angles C4'-P-C4' energy: -86.771
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -36.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2524.985595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.985595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.985595 (E_RNA)
where:
Base-Base interactions energy: -1796.579
where: short stacking energy: -764.624
Base-Backbone interact. energy: -3.929
local terms energy: -724.477943
where:
bonds (distance) C4'-P energy: -130.613
bonds (distance) P-C4' energy: -125.256
flat angles C4'-P-C4' energy: -158.210
flat angles P-C4'-P energy: -104.060
tors. eta vs tors. theta energy: -206.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2520.773872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.773872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.773872 (E_RNA)
where:
Base-Base interactions energy: -1780.481
where: short stacking energy: -723.971
Base-Backbone interact. energy: -4.201
local terms energy: -736.092196
where:
bonds (distance) C4'-P energy: -132.637
bonds (distance) P-C4' energy: -148.891
flat angles C4'-P-C4' energy: -153.809
flat angles P-C4'-P energy: -100.339
tors. eta vs tors. theta energy: -200.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2456.462707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.462707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.462707 (E_RNA)
where:
Base-Base interactions energy: -1716.158
where: short stacking energy: -738.287
Base-Backbone interact. energy: -1.491
local terms energy: -738.813906
where:
bonds (distance) C4'-P energy: -132.944
bonds (distance) P-C4' energy: -129.784
flat angles C4'-P-C4' energy: -160.718
flat angles P-C4'-P energy: -89.183
tors. eta vs tors. theta energy: -226.185
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: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2342.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.543324 (E_RNA)
where:
Base-Base interactions energy: -1650.071
where: short stacking energy: -702.011
Base-Backbone interact. energy: 5.585
local terms energy: -698.058044
where:
bonds (distance) C4'-P energy: -126.972
bonds (distance) P-C4' energy: -126.617
flat angles C4'-P-C4' energy: -140.950
flat angles P-C4'-P energy: -101.734
tors. eta vs tors. theta energy: -201.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2232.930303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.930303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.930303 (E_RNA)
where:
Base-Base interactions energy: -1551.411
where: short stacking energy: -649.527
Base-Backbone interact. energy: 0.160
local terms energy: -681.678799
where:
bonds (distance) C4'-P energy: -135.348
bonds (distance) P-C4' energy: -129.804
flat angles C4'-P-C4' energy: -132.304
flat angles P-C4'-P energy: -93.107
tors. eta vs tors. theta energy: -191.115
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: 9
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -2213.894033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.894033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.894033 (E_RNA)
where:
Base-Base interactions energy: -1565.348
where: short stacking energy: -642.342
Base-Backbone interact. energy: -1.367
local terms energy: -647.179687
where:
bonds (distance) C4'-P energy: -119.007
bonds (distance) P-C4' energy: -123.408
flat angles C4'-P-C4' energy: -135.505
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -178.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -2001.487973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.487973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.487973 (E_RNA)
where:
Base-Base interactions energy: -1419.809
where: short stacking energy: -584.118
Base-Backbone interact. energy: -0.244
local terms energy: -581.435693
where:
bonds (distance) C4'-P energy: -108.986
bonds (distance) P-C4' energy: -115.188
flat angles C4'-P-C4' energy: -119.870
flat angles P-C4'-P energy: -87.539
tors. eta vs tors. theta energy: -149.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1605.904765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.904765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.904765 (E_RNA)
where:
Base-Base interactions energy: -1085.893
where: short stacking energy: -449.445
Base-Backbone interact. energy: 7.305
local terms energy: -527.316897
where:
bonds (distance) C4'-P energy: -120.530
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -124.691
flat angles P-C4'-P energy: -72.486
tors. eta vs tors. theta energy: -99.095
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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1270.846735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.846735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.846735 (E_RNA)
where:
Base-Base interactions energy: -838.878
where: short stacking energy: -396.931
Base-Backbone interact. energy: 5.331
local terms energy: -437.299731
where:
bonds (distance) C4'-P energy: -85.340
bonds (distance) P-C4' energy: -98.324
flat angles C4'-P-C4' energy: -121.247
flat angles P-C4'-P energy: -78.262
tors. eta vs tors. theta energy: -54.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -1124.306959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.306959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.306959 (E_RNA)
where:
Base-Base interactions energy: -743.287
where: short stacking energy: -343.802
Base-Backbone interact. energy: 5.541
local terms energy: -386.561469
where:
bonds (distance) C4'-P energy: -101.418
bonds (distance) P-C4' energy: -102.431
flat angles C4'-P-C4' energy: -94.319
flat angles P-C4'-P energy: -46.725
tors. eta vs tors. theta energy: -41.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2559.989023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.989023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.989023 (E_RNA)
where:
Base-Base interactions energy: -1786.864
where: short stacking energy: -750.655
Base-Backbone interact. energy: 2.021
local terms energy: -775.145909
where:
bonds (distance) C4'-P energy: -129.893
bonds (distance) P-C4' energy: -144.527
flat angles C4'-P-C4' energy: -173.068
flat angles P-C4'-P energy: -122.892
tors. eta vs tors. theta energy: -204.766
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2546.011929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.011929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.011929 (E_RNA)
where:
Base-Base interactions energy: -1817.836
where: short stacking energy: -743.227
Base-Backbone interact. energy: -4.957
local terms energy: -723.218912
where:
bonds (distance) C4'-P energy: -123.580
bonds (distance) P-C4' energy: -136.250
flat angles C4'-P-C4' energy: -161.551
flat angles P-C4'-P energy: -100.734
tors. eta vs tors. theta energy: -201.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2466.231351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.231351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.231351 (E_RNA)
where:
Base-Base interactions energy: -1711.853
where: short stacking energy: -722.160
Base-Backbone interact. energy: 2.249
local terms energy: -756.627782
where:
bonds (distance) C4'-P energy: -140.408
bonds (distance) P-C4' energy: -149.133
flat angles C4'-P-C4' energy: -147.858
flat angles P-C4'-P energy: -102.539
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: 2
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2368.287008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.287008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.287008 (E_RNA)
where:
Base-Base interactions energy: -1671.545
where: short stacking energy: -703.050
Base-Backbone interact. energy: -5.206
local terms energy: -691.535886
where:
bonds (distance) C4'-P energy: -128.287
bonds (distance) P-C4' energy: -121.442
flat angles C4'-P-C4' energy: -138.576
flat angles P-C4'-P energy: -106.030
tors. eta vs tors. theta energy: -197.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2224.392022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.392022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.392022 (E_RNA)
where:
Base-Base interactions energy: -1582.255
where: short stacking energy: -651.563
Base-Backbone interact. energy: 0.495
local terms energy: -642.632901
where:
bonds (distance) C4'-P energy: -120.641
bonds (distance) P-C4' energy: -118.774
flat angles C4'-P-C4' energy: -139.083
flat angles P-C4'-P energy: -82.193
tors. eta vs tors. theta energy: -181.942
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: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -2179.187235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.187235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.187235 (E_RNA)
where:
Base-Base interactions energy: -1509.729
where: short stacking energy: -639.726
Base-Backbone interact. energy: -1.810
local terms energy: -667.648243
where:
bonds (distance) C4'-P energy: -135.386
bonds (distance) P-C4' energy: -129.249
flat angles C4'-P-C4' energy: -138.280
flat angles P-C4'-P energy: -95.893
tors. eta vs tors. theta energy: -168.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1964.908153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.908153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.908153 (E_RNA)
where:
Base-Base interactions energy: -1390.658
where: short stacking energy: -562.605
Base-Backbone interact. energy: -4.575
local terms energy: -569.674591
where:
bonds (distance) C4'-P energy: -100.210
bonds (distance) P-C4' energy: -143.685
flat angles C4'-P-C4' energy: -119.683
flat angles P-C4'-P energy: -76.281
tors. eta vs tors. theta energy: -129.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1520.612232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.612232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.612232 (E_RNA)
where:
Base-Base interactions energy: -1040.622
where: short stacking energy: -435.706
Base-Backbone interact. energy: 1.702
local terms energy: -481.692206
where:
bonds (distance) C4'-P energy: -114.241
bonds (distance) P-C4' energy: -116.607
flat angles C4'-P-C4' energy: -123.972
flat angles P-C4'-P energy: -60.357
tors. eta vs tors. theta energy: -66.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1336.988245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.988245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.988245 (E_RNA)
where:
Base-Base interactions energy: -869.748
where: short stacking energy: -408.020
Base-Backbone interact. energy: -1.674
local terms energy: -465.566366
where:
bonds (distance) C4'-P energy: -95.939
bonds (distance) P-C4' energy: -123.787
flat angles C4'-P-C4' energy: -101.318
flat angles P-C4'-P energy: -69.786
tors. eta vs tors. theta energy: -74.736
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -1184.841611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.841611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.841611 (E_RNA)
where:
Base-Base interactions energy: -734.140
where: short stacking energy: -350.168
Base-Backbone interact. energy: 1.816
local terms energy: -452.517667
where:
bonds (distance) C4'-P energy: -104.065
bonds (distance) P-C4' energy: -121.278
flat angles C4'-P-C4' energy: -107.895
flat angles P-C4'-P energy: -53.601
tors. eta vs tors. theta energy: -65.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2548.229539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.229539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.229539 (E_RNA)
where:
Base-Base interactions energy: -1785.394
where: short stacking energy: -745.197
Base-Backbone interact. energy: -1.506
local terms energy: -761.329418
where:
bonds (distance) C4'-P energy: -140.332
bonds (distance) P-C4' energy: -148.921
flat angles C4'-P-C4' energy: -158.838
flat angles P-C4'-P energy: -112.984
tors. eta vs tors. theta energy: -200.254
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: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2544.673510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.673510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.673510 (E_RNA)
where:
Base-Base interactions energy: -1798.192
where: short stacking energy: -744.256
Base-Backbone interact. energy: 2.441
local terms energy: -748.923412
where:
bonds (distance) C4'-P energy: -134.906
bonds (distance) P-C4' energy: -138.854
flat angles C4'-P-C4' energy: -162.369
flat angles P-C4'-P energy: -107.684
tors. eta vs tors. theta energy: -205.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2464.873789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.873789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.873789 (E_RNA)
where:
Base-Base interactions energy: -1715.503
where: short stacking energy: -754.589
Base-Backbone interact. energy: -2.040
local terms energy: -747.330911
where:
bonds (distance) C4'-P energy: -128.320
bonds (distance) P-C4' energy: -136.396
flat angles C4'-P-C4' energy: -166.683
flat angles P-C4'-P energy: -93.506
tors. eta vs tors. theta energy: -222.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2373.611508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.611508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.611508 (E_RNA)
where:
Base-Base interactions energy: -1675.719
where: short stacking energy: -716.097
Base-Backbone interact. energy: -2.434
local terms energy: -695.458720
where:
bonds (distance) C4'-P energy: -128.254
bonds (distance) P-C4' energy: -126.782
flat angles C4'-P-C4' energy: -141.751
flat angles P-C4'-P energy: -96.584
tors. eta vs tors. theta energy: -202.087
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: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2231.153953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.153953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.153953 (E_RNA)
where:
Base-Base interactions energy: -1560.302
where: short stacking energy: -643.764
Base-Backbone interact. energy: -4.193
local terms energy: -666.659111
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -111.327
flat angles C4'-P-C4' energy: -149.349
flat angles P-C4'-P energy: -98.063
tors. eta vs tors. theta energy: -181.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -2170.357309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.357309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.357309 (E_RNA)
where:
Base-Base interactions energy: -1517.447
where: short stacking energy: -641.344
Base-Backbone interact. energy: -3.718
local terms energy: -649.191864
where:
bonds (distance) C4'-P energy: -129.256
bonds (distance) P-C4' energy: -124.243
flat angles C4'-P-C4' energy: -132.001
flat angles P-C4'-P energy: -87.172
tors. eta vs tors. theta energy: -176.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1999.872937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.872937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.872937 (E_RNA)
where:
Base-Base interactions energy: -1413.376
where: short stacking energy: -589.093
Base-Backbone interact. energy: -3.979
local terms energy: -582.517988
where:
bonds (distance) C4'-P energy: -125.363
bonds (distance) P-C4' energy: -106.303
flat angles C4'-P-C4' energy: -124.358
flat angles P-C4'-P energy: -78.861
tors. eta vs tors. theta energy: -147.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1585.344921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.344921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.344921 (E_RNA)
where:
Base-Base interactions energy: -1079.972
where: short stacking energy: -453.159
Base-Backbone interact. energy: -1.575
local terms energy: -503.798364
where:
bonds (distance) C4'-P energy: -101.392
bonds (distance) P-C4' energy: -116.628
flat angles C4'-P-C4' energy: -128.983
flat angles P-C4'-P energy: -57.193
tors. eta vs tors. theta energy: -99.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1375.367146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.367146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.367146 (E_RNA)
where:
Base-Base interactions energy: -882.768
where: short stacking energy: -391.636
Base-Backbone interact. energy: -1.929
local terms energy: -490.670432
where:
bonds (distance) C4'-P energy: -123.440
bonds (distance) P-C4' energy: -113.754
flat angles C4'-P-C4' energy: -119.008
flat angles P-C4'-P energy: -65.606
tors. eta vs tors. theta energy: -68.863
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -1137.699967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.699967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.699967 (E_RNA)
where:
Base-Base interactions energy: -705.112
where: short stacking energy: -316.667
Base-Backbone interact. energy: -2.306
local terms energy: -430.282156
where:
bonds (distance) C4'-P energy: -97.463
bonds (distance) P-C4' energy: -119.608
flat angles C4'-P-C4' energy: -121.662
flat angles P-C4'-P energy: -56.442
tors. eta vs tors. theta energy: -35.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2553.600792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.600792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.600792 (E_RNA)
where:
Base-Base interactions energy: -1793.264
where: short stacking energy: -751.541
Base-Backbone interact. energy: -4.607
local terms energy: -755.729096
where:
bonds (distance) C4'-P energy: -129.280
bonds (distance) P-C4' energy: -146.147
flat angles C4'-P-C4' energy: -166.933
flat angles P-C4'-P energy: -98.157
tors. eta vs tors. theta energy: -215.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2516.519614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.519614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.519614 (E_RNA)
where:
Base-Base interactions energy: -1780.537
where: short stacking energy: -746.680
Base-Backbone interact. energy: 3.658
local terms energy: -739.641280
where:
bonds (distance) C4'-P energy: -131.869
bonds (distance) P-C4' energy: -133.347
flat angles C4'-P-C4' energy: -157.001
flat angles P-C4'-P energy: -115.247
tors. eta vs tors. theta energy: -202.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2445.399131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.399131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.399131 (E_RNA)
where:
Base-Base interactions energy: -1698.774
where: short stacking energy: -722.040
Base-Backbone interact. energy: -1.873
local terms energy: -744.751872
where:
bonds (distance) C4'-P energy: -142.662
bonds (distance) P-C4' energy: -135.792
flat angles C4'-P-C4' energy: -146.476
flat angles P-C4'-P energy: -106.311
tors. eta vs tors. theta energy: -213.511
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: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2349.922883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.922883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.922883 (E_RNA)
where:
Base-Base interactions energy: -1678.142
where: short stacking energy: -690.231
Base-Backbone interact. energy: -2.402
local terms energy: -669.379001
where:
bonds (distance) C4'-P energy: -109.421
bonds (distance) P-C4' energy: -119.485
flat angles C4'-P-C4' energy: -143.209
flat angles P-C4'-P energy: -97.437
tors. eta vs tors. theta energy: -199.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2244.412168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.412168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.412168 (E_RNA)
where:
Base-Base interactions energy: -1590.915
where: short stacking energy: -641.828
Base-Backbone interact. energy: -4.124
local terms energy: -649.373625
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -121.411
flat angles C4'-P-C4' energy: -142.291
flat angles P-C4'-P energy: -99.564
tors. eta vs tors. theta energy: -171.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -2184.769859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.769859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.769859 (E_RNA)
where:
Base-Base interactions energy: -1549.633
where: short stacking energy: -636.637
Base-Backbone interact. energy: -3.455
local terms energy: -631.682254
where:
bonds (distance) C4'-P energy: -97.412
bonds (distance) P-C4' energy: -116.106
flat angles C4'-P-C4' energy: -141.005
flat angles P-C4'-P energy: -102.643
tors. eta vs tors. theta energy: -174.515
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: 3
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1967.758573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.758573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.758573 (E_RNA)
where:
Base-Base interactions energy: -1364.965
where: short stacking energy: -581.331
Base-Backbone interact. energy: 2.105
local terms energy: -604.899346
where:
bonds (distance) C4'-P energy: -114.270
bonds (distance) P-C4' energy: -123.622
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -152.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1583.976762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.976762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.976762 (E_RNA)
where:
Base-Base interactions energy: -1080.999
where: short stacking energy: -467.422
Base-Backbone interact. energy: -3.051
local terms energy: -499.927009
where:
bonds (distance) C4'-P energy: -102.053
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -117.153
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -96.637
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: 9, replica: 4
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1340.895943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.895943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.895943 (E_RNA)
where:
Base-Base interactions energy: -853.141
where: short stacking energy: -402.859
Base-Backbone interact. energy: 2.386
local terms energy: -490.140432
where:
bonds (distance) C4'-P energy: -111.438
bonds (distance) P-C4' energy: -120.414
flat angles C4'-P-C4' energy: -115.298
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -77.060
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: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -1199.155011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.155011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.155011 (E_RNA)
where:
Base-Base interactions energy: -763.940
where: short stacking energy: -349.030
Base-Backbone interact. energy: 4.459
local terms energy: -439.674568
where:
bonds (distance) C4'-P energy: -102.268
bonds (distance) P-C4' energy: -112.875
flat angles C4'-P-C4' energy: -117.471
flat angles P-C4'-P energy: -54.709
tors. eta vs tors. theta energy: -52.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2561.206796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.206796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.206796 (E_RNA)
where:
Base-Base interactions energy: -1785.190
where: short stacking energy: -754.035
Base-Backbone interact. energy: -3.209
local terms energy: -772.807296
where:
bonds (distance) C4'-P energy: -147.454
bonds (distance) P-C4' energy: -139.829
flat angles C4'-P-C4' energy: -159.336
flat angles P-C4'-P energy: -109.783
tors. eta vs tors. theta energy: -216.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2488.295051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.295051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.295051 (E_RNA)
where:
Base-Base interactions energy: -1779.055
where: short stacking energy: -732.716
Base-Backbone interact. energy: 0.125
local terms energy: -709.365089
where:
bonds (distance) C4'-P energy: -112.065
bonds (distance) P-C4' energy: -136.571
flat angles C4'-P-C4' energy: -157.473
flat angles P-C4'-P energy: -102.951
tors. eta vs tors. theta energy: -200.306
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: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2440.563886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.563886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.563886 (E_RNA)
where:
Base-Base interactions energy: -1699.046
where: short stacking energy: -724.705
Base-Backbone interact. energy: -1.860
local terms energy: -739.658549
where:
bonds (distance) C4'-P energy: -129.849
bonds (distance) P-C4' energy: -139.686
flat angles C4'-P-C4' energy: -150.898
flat angles P-C4'-P energy: -99.972
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: 4, replica: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2376.156694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.156694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.156694 (E_RNA)
where:
Base-Base interactions energy: -1689.649
where: short stacking energy: -732.530
Base-Backbone interact. energy: -2.348
local terms energy: -684.159817
where:
bonds (distance) C4'-P energy: -129.132
bonds (distance) P-C4' energy: -131.033
flat angles C4'-P-C4' energy: -143.701
flat angles P-C4'-P energy: -72.081
tors. eta vs tors. theta energy: -208.213
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: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2238.705811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.705811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.705811 (E_RNA)
where:
Base-Base interactions energy: -1608.949
where: short stacking energy: -655.211
Base-Backbone interact. energy: -1.420
local terms energy: -628.337193
where:
bonds (distance) C4'-P energy: -96.353
bonds (distance) P-C4' energy: -116.536
flat angles C4'-P-C4' energy: -143.563
flat angles P-C4'-P energy: -86.370
tors. eta vs tors. theta energy: -185.514
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: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -2164.297710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.297710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.297710 (E_RNA)
where:
Base-Base interactions energy: -1498.271
where: short stacking energy: -637.132
Base-Backbone interact. energy: 0.566
local terms energy: -666.592924
where:
bonds (distance) C4'-P energy: -141.909
bonds (distance) P-C4' energy: -111.755
flat angles C4'-P-C4' energy: -143.729
flat angles P-C4'-P energy: -93.207
tors. eta vs tors. theta energy: -175.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1989.449459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.449459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.449459 (E_RNA)
where:
Base-Base interactions energy: -1344.590
where: short stacking energy: -566.969
Base-Backbone interact. energy: 4.219
local terms energy: -649.079267
where:
bonds (distance) C4'-P energy: -136.782
bonds (distance) P-C4' energy: -130.759
flat angles C4'-P-C4' energy: -142.540
flat angles P-C4'-P energy: -78.680
tors. eta vs tors. theta energy: -160.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1537.732365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.732365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.732365 (E_RNA)
where:
Base-Base interactions energy: -1076.597
where: short stacking energy: -432.604
Base-Backbone interact. energy: 0.522
local terms energy: -461.656732
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -89.352
flat angles C4'-P-C4' energy: -132.202
flat angles P-C4'-P energy: -57.834
tors. eta vs tors. theta energy: -71.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1426.419840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.419840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.419840 (E_RNA)
where:
Base-Base interactions energy: -926.339
where: short stacking energy: -422.442
Base-Backbone interact. energy: 1.820
local terms energy: -501.901318
where:
bonds (distance) C4'-P energy: -95.698
bonds (distance) P-C4' energy: -127.240
flat angles C4'-P-C4' energy: -126.572
flat angles P-C4'-P energy: -71.253
tors. eta vs tors. theta energy: -81.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -1138.317125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.317125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.317125 (E_RNA)
where:
Base-Base interactions energy: -699.454
where: short stacking energy: -312.952
Base-Backbone interact. energy: -2.642
local terms energy: -436.221121
where:
bonds (distance) C4'-P energy: -102.641
bonds (distance) P-C4' energy: -115.744
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -54.353
tors. eta vs tors. theta energy: -49.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2579.258946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.258946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.258946 (E_RNA)
where:
Base-Base interactions energy: -1805.045
where: short stacking energy: -753.790
Base-Backbone interact. energy: -2.428
local terms energy: -771.785579
where:
bonds (distance) C4'-P energy: -142.758
bonds (distance) P-C4' energy: -146.790
flat angles C4'-P-C4' energy: -170.818
flat angles P-C4'-P energy: -102.198
tors. eta vs tors. theta energy: -209.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2533.225030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.225030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.225030 (E_RNA)
where:
Base-Base interactions energy: -1783.565
where: short stacking energy: -733.161
Base-Backbone interact. energy: -5.031
local terms energy: -744.629294
where:
bonds (distance) C4'-P energy: -136.797
bonds (distance) P-C4' energy: -145.376
flat angles C4'-P-C4' energy: -161.834
flat angles P-C4'-P energy: -111.987
tors. eta vs tors. theta energy: -188.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2446.355017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.355017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.355017 (E_RNA)
where:
Base-Base interactions energy: -1724.158
where: short stacking energy: -729.549
Base-Backbone interact. energy: -1.996
local terms energy: -720.200803
where:
bonds (distance) C4'-P energy: -140.280
bonds (distance) P-C4' energy: -112.440
flat angles C4'-P-C4' energy: -151.718
flat angles P-C4'-P energy: -92.896
tors. eta vs tors. theta energy: -222.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2346.990710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.990710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.990710 (E_RNA)
where:
Base-Base interactions energy: -1656.493
where: short stacking energy: -673.305
Base-Backbone interact. energy: -1.377
local terms energy: -689.120998
where:
bonds (distance) C4'-P energy: -120.082
bonds (distance) P-C4' energy: -140.155
flat angles C4'-P-C4' energy: -138.131
flat angles P-C4'-P energy: -98.839
tors. eta vs tors. theta energy: -191.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2219.749104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.749104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.749104 (E_RNA)
where:
Base-Base interactions energy: -1583.440
where: short stacking energy: -622.155
Base-Backbone interact. energy: 0.610
local terms energy: -636.919470
where:
bonds (distance) C4'-P energy: -105.296
bonds (distance) P-C4' energy: -126.770
flat angles C4'-P-C4' energy: -135.709
flat angles P-C4'-P energy: -98.194
tors. eta vs tors. theta energy: -170.951
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -2189.434163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.434163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.434163 (E_RNA)
where:
Base-Base interactions energy: -1548.243
where: short stacking energy: -651.109
Base-Backbone interact. energy: 0.215
local terms energy: -641.405437
where:
bonds (distance) C4'-P energy: -136.012
bonds (distance) P-C4' energy: -116.755
flat angles C4'-P-C4' energy: -129.954
flat angles P-C4'-P energy: -91.108
tors. eta vs tors. theta energy: -167.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1920.827604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.827604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.827604 (E_RNA)
where:
Base-Base interactions energy: -1353.647
where: short stacking energy: -565.910
Base-Backbone interact. energy: -4.270
local terms energy: -562.910684
where:
bonds (distance) C4'-P energy: -122.089
bonds (distance) P-C4' energy: -113.806
flat angles C4'-P-C4' energy: -118.299
flat angles P-C4'-P energy: -63.573
tors. eta vs tors. theta energy: -145.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1588.270223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.270223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.270223 (E_RNA)
where:
Base-Base interactions energy: -1050.352
where: short stacking energy: -463.706
Base-Backbone interact. energy: -1.899
local terms energy: -536.018786
where:
bonds (distance) C4'-P energy: -119.711
bonds (distance) P-C4' energy: -124.286
flat angles C4'-P-C4' energy: -123.851
flat angles P-C4'-P energy: -67.814
tors. eta vs tors. theta energy: -100.356
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: 4
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1491.661506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.661506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.661506 (E_RNA)
where:
Base-Base interactions energy: -980.655
where: short stacking energy: -423.335
Base-Backbone interact. energy: -1.594
local terms energy: -509.412379
where:
bonds (distance) C4'-P energy: -114.234
bonds (distance) P-C4' energy: -110.199
flat angles C4'-P-C4' energy: -112.206
flat angles P-C4'-P energy: -89.244
tors. eta vs tors. theta energy: -83.529
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: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -1193.515019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.515019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.515019 (E_RNA)
where:
Base-Base interactions energy: -738.089
where: short stacking energy: -328.140
Base-Backbone interact. energy: 2.269
local terms energy: -457.695227
where:
bonds (distance) C4'-P energy: -91.952
bonds (distance) P-C4' energy: -130.947
flat angles C4'-P-C4' energy: -110.385
flat angles P-C4'-P energy: -60.359
tors. eta vs tors. theta energy: -64.052
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: 5
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2582.635366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.635366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.635366 (E_RNA)
where:
Base-Base interactions energy: -1835.753
where: short stacking energy: -755.800
Base-Backbone interact. energy: -5.447
local terms energy: -741.435601
where:
bonds (distance) C4'-P energy: -128.214
bonds (distance) P-C4' energy: -145.032
flat angles C4'-P-C4' energy: -157.562
flat angles P-C4'-P energy: -98.975
tors. eta vs tors. theta energy: -211.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2530.699157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.699157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.699157 (E_RNA)
where:
Base-Base interactions energy: -1784.863
where: short stacking energy: -741.931
Base-Backbone interact. energy: -4.235
local terms energy: -741.601344
where:
bonds (distance) C4'-P energy: -137.249
bonds (distance) P-C4' energy: -131.321
flat angles C4'-P-C4' energy: -164.208
flat angles P-C4'-P energy: -107.286
tors. eta vs tors. theta energy: -201.537
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: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -2442.666983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2442.666983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2442.666983 (E_RNA)
where:
Base-Base interactions energy: -1703.884
where: short stacking energy: -741.301
Base-Backbone interact. energy: -1.322
local terms energy: -737.460908
where:
bonds (distance) C4'-P energy: -135.753
bonds (distance) P-C4' energy: -136.522
flat angles C4'-P-C4' energy: -152.495
flat angles P-C4'-P energy: -94.480
tors. eta vs tors. theta energy: -218.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2365.467383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.467383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.467383 (E_RNA)
where:
Base-Base interactions energy: -1647.896
where: short stacking energy: -681.389
Base-Backbone interact. energy: -3.465
local terms energy: -714.106230
where:
bonds (distance) C4'-P energy: -114.461
bonds (distance) P-C4' energy: -142.290
flat angles C4'-P-C4' energy: -154.969
flat angles P-C4'-P energy: -107.236
tors. eta vs tors. theta energy: -195.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2241.549128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.549128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.549128 (E_RNA)
where:
Base-Base interactions energy: -1591.172
where: short stacking energy: -646.367
Base-Backbone interact. energy: -5.435
local terms energy: -644.941858
where:
bonds (distance) C4'-P energy: -111.170
bonds (distance) P-C4' energy: -117.655
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -99.341
tors. eta vs tors. theta energy: -176.986
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: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -2208.305501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.305501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.305501 (E_RNA)
where:
Base-Base interactions energy: -1574.603
where: short stacking energy: -651.760
Base-Backbone interact. energy: -4.289
local terms energy: -629.413616
where:
bonds (distance) C4'-P energy: -105.416
bonds (distance) P-C4' energy: -123.129
flat angles C4'-P-C4' energy: -138.111
flat angles P-C4'-P energy: -78.913
tors. eta vs tors. theta energy: -183.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1973.277243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.277243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.277243 (E_RNA)
where:
Base-Base interactions energy: -1367.868
where: short stacking energy: -580.995
Base-Backbone interact. energy: -2.924
local terms energy: -602.485573
where:
bonds (distance) C4'-P energy: -99.616
bonds (distance) P-C4' energy: -126.246
flat angles C4'-P-C4' energy: -142.831
flat angles P-C4'-P energy: -91.983
tors. eta vs tors. theta energy: -141.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1570.275726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.275726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.275726 (E_RNA)
where:
Base-Base interactions energy: -1031.654
where: short stacking energy: -449.862
Base-Backbone interact. energy: -1.530
local terms energy: -537.091734
where:
bonds (distance) C4'-P energy: -123.795
bonds (distance) P-C4' energy: -121.757
flat angles C4'-P-C4' energy: -117.773
flat angles P-C4'-P energy: -85.659
tors. eta vs tors. theta energy: -88.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1429.621109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.621109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.621109 (E_RNA)
where:
Base-Base interactions energy: -948.213
where: short stacking energy: -432.508
Base-Backbone interact. energy: 0.254
local terms energy: -481.662186
where:
bonds (distance) C4'-P energy: -109.789
bonds (distance) P-C4' energy: -115.537
flat angles C4'-P-C4' energy: -105.220
flat angles P-C4'-P energy: -74.603
tors. eta vs tors. theta energy: -76.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -1228.267438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.267438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.267438 (E_RNA)
where:
Base-Base interactions energy: -787.289
where: short stacking energy: -351.411
Base-Backbone interact. energy: 3.574
local terms energy: -444.552094
where:
bonds (distance) C4'-P energy: -82.260
bonds (distance) P-C4' energy: -119.940
flat angles C4'-P-C4' energy: -108.744
flat angles P-C4'-P energy: -63.993
tors. eta vs tors. theta energy: -69.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2577.029954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.029954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.029954 (E_RNA)
where:
Base-Base interactions energy: -1824.801
where: short stacking energy: -748.808
Base-Backbone interact. energy: -3.832
local terms energy: -748.396123
where:
bonds (distance) C4'-P energy: -127.675
bonds (distance) P-C4' energy: -140.501
flat angles C4'-P-C4' energy: -159.885
flat angles P-C4'-P energy: -109.901
tors. eta vs tors. theta energy: -210.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2520.044107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.044107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.044107 (E_RNA)
where:
Base-Base interactions energy: -1784.868
where: short stacking energy: -734.158
Base-Backbone interact. energy: -3.890
local terms energy: -731.286184
where:
bonds (distance) C4'-P energy: -128.369
bonds (distance) P-C4' energy: -141.495
flat angles C4'-P-C4' energy: -156.281
flat angles P-C4'-P energy: -103.856
tors. eta vs tors. theta energy: -201.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2422.861423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.861423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.861423 (E_RNA)
where:
Base-Base interactions energy: -1700.579
where: short stacking energy: -730.818
Base-Backbone interact. energy: -2.744
local terms energy: -719.538854
where:
bonds (distance) C4'-P energy: -130.430
bonds (distance) P-C4' energy: -115.661
flat angles C4'-P-C4' energy: -149.152
flat angles P-C4'-P energy: -107.348
tors. eta vs tors. theta energy: -216.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2356.582136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.582136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.582136 (E_RNA)
where:
Base-Base interactions energy: -1682.180
where: short stacking energy: -701.194
Base-Backbone interact. energy: -4.089
local terms energy: -670.313836
where:
bonds (distance) C4'-P energy: -107.602
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -146.864
flat angles P-C4'-P energy: -99.618
tors. eta vs tors. theta energy: -202.258
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: 5, replica: 9
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2230.533193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.533193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.533193 (E_RNA)
where:
Base-Base interactions energy: -1564.835
where: short stacking energy: -689.991
Base-Backbone interact. energy: -2.567
local terms energy: -663.131900
where:
bonds (distance) C4'-P energy: -120.763
bonds (distance) P-C4' energy: -113.702
flat angles C4'-P-C4' energy: -153.046
flat angles P-C4'-P energy: -83.787
tors. eta vs tors. theta energy: -191.836
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: 6
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -2154.357342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.357342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.357342 (E_RNA)
where:
Base-Base interactions energy: -1537.201
where: short stacking energy: -658.349
Base-Backbone interact. energy: -2.144
local terms energy: -615.012171
where:
bonds (distance) C4'-P energy: -96.487
bonds (distance) P-C4' energy: -125.160
flat angles C4'-P-C4' energy: -128.133
flat angles P-C4'-P energy: -94.651
tors. eta vs tors. theta energy: -170.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1985.792590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.792590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.792590 (E_RNA)
where:
Base-Base interactions energy: -1408.317
where: short stacking energy: -595.752
Base-Backbone interact. energy: -2.155
local terms energy: -575.321268
where:
bonds (distance) C4'-P energy: -117.348
bonds (distance) P-C4' energy: -107.070
flat angles C4'-P-C4' energy: -122.506
flat angles P-C4'-P energy: -84.810
tors. eta vs tors. theta energy: -143.586
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: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1591.143367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.143367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.143367 (E_RNA)
where:
Base-Base interactions energy: -1088.160
where: short stacking energy: -469.057
Base-Backbone interact. energy: 2.622
local terms energy: -505.605451
where:
bonds (distance) C4'-P energy: -102.005
bonds (distance) P-C4' energy: -109.193
flat angles C4'-P-C4' energy: -113.730
flat angles P-C4'-P energy: -92.364
tors. eta vs tors. theta energy: -88.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1310.627399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.627399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.627399 (E_RNA)
where:
Base-Base interactions energy: -835.198
where: short stacking energy: -379.169
Base-Backbone interact. energy: -0.673
local terms energy: -474.756737
where:
bonds (distance) C4'-P energy: -107.730
bonds (distance) P-C4' energy: -130.717
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -57.687
tors. eta vs tors. theta energy: -55.575
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: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -1194.437877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.437877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.437877 (E_RNA)
where:
Base-Base interactions energy: -770.966
where: short stacking energy: -341.114
Base-Backbone interact. energy: 6.016
local terms energy: -429.488494
where:
bonds (distance) C4'-P energy: -116.472
bonds (distance) P-C4' energy: -79.350
flat angles C4'-P-C4' energy: -112.333
flat angles P-C4'-P energy: -73.123
tors. eta vs tors. theta energy: -48.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2565.219436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.219436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.219436 (E_RNA)
where:
Base-Base interactions energy: -1809.587
where: short stacking energy: -765.341
Base-Backbone interact. energy: -3.732
local terms energy: -751.899640
where:
bonds (distance) C4'-P energy: -143.439
bonds (distance) P-C4' energy: -143.416
flat angles C4'-P-C4' energy: -149.474
flat angles P-C4'-P energy: -96.370
tors. eta vs tors. theta energy: -219.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2530.328147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.328147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.328147 (E_RNA)
where:
Base-Base interactions energy: -1779.374
where: short stacking energy: -741.756
Base-Backbone interact. energy: -4.224
local terms energy: -746.730094
where:
bonds (distance) C4'-P energy: -133.356
bonds (distance) P-C4' energy: -142.294
flat angles C4'-P-C4' energy: -172.991
flat angles P-C4'-P energy: -99.801
tors. eta vs tors. theta energy: -198.288
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: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2445.431603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.431603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.431603 (E_RNA)
where:
Base-Base interactions energy: -1710.577
where: short stacking energy: -756.548
Base-Backbone interact. energy: -0.892
local terms energy: -733.961776
where:
bonds (distance) C4'-P energy: -123.992
bonds (distance) P-C4' energy: -147.537
flat angles C4'-P-C4' energy: -150.490
flat angles P-C4'-P energy: -91.574
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: 4, replica: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2351.706596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.706596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.706596 (E_RNA)
where:
Base-Base interactions energy: -1665.805
where: short stacking energy: -694.759
Base-Backbone interact. energy: -3.315
local terms energy: -682.586394
where:
bonds (distance) C4'-P energy: -121.429
bonds (distance) P-C4' energy: -107.203
flat angles C4'-P-C4' energy: -157.276
flat angles P-C4'-P energy: -97.996
tors. eta vs tors. theta energy: -198.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2267.049796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.049796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.049796 (E_RNA)
where:
Base-Base interactions energy: -1602.763
where: short stacking energy: -658.186
Base-Backbone interact. energy: 1.260
local terms energy: -665.547392
where:
bonds (distance) C4'-P energy: -126.854
bonds (distance) P-C4' energy: -123.430
flat angles C4'-P-C4' energy: -152.524
flat angles P-C4'-P energy: -93.458
tors. eta vs tors. theta energy: -169.281
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: 6
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -2200.110778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.110778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.110778 (E_RNA)
where:
Base-Base interactions energy: -1552.474
where: short stacking energy: -685.635
Base-Backbone interact. energy: -2.283
local terms energy: -645.353542
where:
bonds (distance) C4'-P energy: -107.577
bonds (distance) P-C4' energy: -123.515
flat angles C4'-P-C4' energy: -135.659
flat angles P-C4'-P energy: -88.447
tors. eta vs tors. theta energy: -190.156
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: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1990.567142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.567142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.567142 (E_RNA)
where:
Base-Base interactions energy: -1392.741
where: short stacking energy: -554.975
Base-Backbone interact. energy: 0.422
local terms energy: -598.247983
where:
bonds (distance) C4'-P energy: -114.089
bonds (distance) P-C4' energy: -124.206
flat angles C4'-P-C4' energy: -123.443
flat angles P-C4'-P energy: -91.200
tors. eta vs tors. theta energy: -145.310
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: 1
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1541.647802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.647802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.647802 (E_RNA)
where:
Base-Base interactions energy: -1035.580
where: short stacking energy: -450.113
Base-Backbone interact. energy: 0.450
local terms energy: -506.517093
where:
bonds (distance) C4'-P energy: -135.506
bonds (distance) P-C4' energy: -116.883
flat angles C4'-P-C4' energy: -112.520
flat angles P-C4'-P energy: -53.312
tors. eta vs tors. theta energy: -88.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1386.937187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.937187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.937187 (E_RNA)
where:
Base-Base interactions energy: -897.493
where: short stacking energy: -406.429
Base-Backbone interact. energy: -2.689
local terms energy: -486.755066
where:
bonds (distance) C4'-P energy: -123.457
bonds (distance) P-C4' energy: -102.024
flat angles C4'-P-C4' energy: -112.892
flat angles P-C4'-P energy: -74.284
tors. eta vs tors. theta energy: -74.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -1131.676613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.676613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.676613 (E_RNA)
where:
Base-Base interactions energy: -716.562
where: short stacking energy: -326.949
Base-Backbone interact. energy: 1.041
local terms energy: -416.155129
where:
bonds (distance) C4'-P energy: -110.530
bonds (distance) P-C4' energy: -109.206
flat angles C4'-P-C4' energy: -102.894
flat angles P-C4'-P energy: -69.689
tors. eta vs tors. theta energy: -23.836
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: 5
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2576.100049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.100049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.100049 (E_RNA)
where:
Base-Base interactions energy: -1816.851
where: short stacking energy: -753.803
Base-Backbone interact. energy: -3.909
local terms energy: -755.339887
where:
bonds (distance) C4'-P energy: -137.366
bonds (distance) P-C4' energy: -143.845
flat angles C4'-P-C4' energy: -156.216
flat angles P-C4'-P energy: -104.684
tors. eta vs tors. theta energy: -213.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2508.456184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.456184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.456184 (E_RNA)
where:
Base-Base interactions energy: -1795.228
where: short stacking energy: -730.753
Base-Backbone interact. energy: -1.955
local terms energy: -711.272264
where:
bonds (distance) C4'-P energy: -136.368
bonds (distance) P-C4' energy: -127.853
flat angles C4'-P-C4' energy: -148.186
flat angles P-C4'-P energy: -101.571
tors. eta vs tors. theta energy: -197.295
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: 3, replica: 10
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2463.580855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2463.580855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2463.580855 (E_RNA)
where:
Base-Base interactions energy: -1730.045
where: short stacking energy: -725.556
Base-Backbone interact. energy: -2.459
local terms energy: -731.076286
where:
bonds (distance) C4'-P energy: -128.385
bonds (distance) P-C4' energy: -118.451
flat angles C4'-P-C4' energy: -166.600
flat angles P-C4'-P energy: -111.105
tors. eta vs tors. theta energy: -206.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2355.955022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.955022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.955022 (E_RNA)
where:
Base-Base interactions energy: -1667.185
where: short stacking energy: -674.371
Base-Backbone interact. energy: -3.960
local terms energy: -684.809911
where:
bonds (distance) C4'-P energy: -132.267
bonds (distance) P-C4' energy: -122.143
flat angles C4'-P-C4' energy: -146.325
flat angles P-C4'-P energy: -84.423
tors. eta vs tors. theta energy: -199.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2241.330592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.330592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.330592 (E_RNA)
where:
Base-Base interactions energy: -1579.205
where: short stacking energy: -643.266
Base-Backbone interact. energy: -2.128
local terms energy: -659.997211
where:
bonds (distance) C4'-P energy: -120.050
bonds (distance) P-C4' energy: -135.281
flat angles C4'-P-C4' energy: -133.060
flat angles P-C4'-P energy: -100.415
tors. eta vs tors. theta energy: -171.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -2133.210773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.210773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.210773 (E_RNA)
where:
Base-Base interactions energy: -1520.920
where: short stacking energy: -640.524
Base-Backbone interact. energy: 1.720
local terms energy: -614.010656
where:
bonds (distance) C4'-P energy: -95.388
bonds (distance) P-C4' energy: -124.453
flat angles C4'-P-C4' energy: -138.691
flat angles P-C4'-P energy: -93.201
tors. eta vs tors. theta energy: -162.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1991.017483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.017483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.017483 (E_RNA)
where:
Base-Base interactions energy: -1390.169
where: short stacking energy: -592.087
Base-Backbone interact. energy: -4.007
local terms energy: -596.842001
where:
bonds (distance) C4'-P energy: -109.452
bonds (distance) P-C4' energy: -122.452
flat angles C4'-P-C4' energy: -137.677
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -149.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1558.181400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.181400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.181400 (E_RNA)
where:
Base-Base interactions energy: -1031.963
where: short stacking energy: -463.364
Base-Backbone interact. energy: 2.624
local terms energy: -528.842711
where:
bonds (distance) C4'-P energy: -120.349
bonds (distance) P-C4' energy: -101.012
flat angles C4'-P-C4' energy: -131.328
flat angles P-C4'-P energy: -80.950
tors. eta vs tors. theta energy: -95.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1379.776088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.776088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.776088 (E_RNA)
where:
Base-Base interactions energy: -899.744
where: short stacking energy: -415.645
Base-Backbone interact. energy: -1.758
local terms energy: -478.274578
where:
bonds (distance) C4'-P energy: -100.408
bonds (distance) P-C4' energy: -102.616
flat angles C4'-P-C4' energy: -127.997
flat angles P-C4'-P energy: -72.024
tors. eta vs tors. theta energy: -75.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -1120.146613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.146613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.146613 (E_RNA)
where:
Base-Base interactions energy: -671.166
where: short stacking energy: -311.236
Base-Backbone interact. energy: -1.536
local terms energy: -447.444759
where:
bonds (distance) C4'-P energy: -110.193
bonds (distance) P-C4' energy: -128.834
flat angles C4'-P-C4' energy: -107.079
flat angles P-C4'-P energy: -76.011
tors. eta vs tors. theta energy: -25.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2554.307805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.307805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.307805 (E_RNA)
where:
Base-Base interactions energy: -1808.825
where: short stacking energy: -754.760
Base-Backbone interact. energy: -2.576
local terms energy: -742.906646
where:
bonds (distance) C4'-P energy: -137.132
bonds (distance) P-C4' energy: -132.158
flat angles C4'-P-C4' energy: -155.792
flat angles P-C4'-P energy: -106.262
tors. eta vs tors. theta energy: -211.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2531.431823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.431823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.431823 (E_RNA)
where:
Base-Base interactions energy: -1803.559
where: short stacking energy: -737.699
Base-Backbone interact. energy: -1.196
local terms energy: -726.676504
where:
bonds (distance) C4'-P energy: -125.684
bonds (distance) P-C4' energy: -126.206
flat angles C4'-P-C4' energy: -162.593
flat angles P-C4'-P energy: -110.328
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: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2430.524915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.524915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.524915 (E_RNA)
where:
Base-Base interactions energy: -1718.465
where: short stacking energy: -754.405
Base-Backbone interact. energy: -1.854
local terms energy: -710.206455
where:
bonds (distance) C4'-P energy: -123.304
bonds (distance) P-C4' energy: -130.698
flat angles C4'-P-C4' energy: -141.525
flat angles P-C4'-P energy: -98.161
tors. eta vs tors. theta energy: -216.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2346.849918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.849918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.849918 (E_RNA)
where:
Base-Base interactions energy: -1630.442
where: short stacking energy: -682.559
Base-Backbone interact. energy: 1.574
local terms energy: -717.982351
where:
bonds (distance) C4'-P energy: -129.667
bonds (distance) P-C4' energy: -138.118
flat angles C4'-P-C4' energy: -146.777
flat angles P-C4'-P energy: -107.356
tors. eta vs tors. theta energy: -196.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2273.523152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.523152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.523152 (E_RNA)
where:
Base-Base interactions energy: -1566.551
where: short stacking energy: -660.140
Base-Backbone interact. energy: -0.932
local terms energy: -706.040290
where:
bonds (distance) C4'-P energy: -137.368
bonds (distance) P-C4' energy: -112.352
flat angles C4'-P-C4' energy: -156.452
flat angles P-C4'-P energy: -112.126
tors. eta vs tors. theta energy: -187.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -2119.154440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.154440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.154440 (E_RNA)
where:
Base-Base interactions energy: -1517.351
where: short stacking energy: -631.480
Base-Backbone interact. energy: -2.900
local terms energy: -598.903274
where:
bonds (distance) C4'-P energy: -109.212
bonds (distance) P-C4' energy: -113.504
flat angles C4'-P-C4' energy: -130.148
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -165.857
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: 3
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1965.646889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.646889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.646889 (E_RNA)
where:
Base-Base interactions energy: -1373.162
where: short stacking energy: -580.371
Base-Backbone interact. energy: -3.314
local terms energy: -589.171644
where:
bonds (distance) C4'-P energy: -114.124
bonds (distance) P-C4' energy: -107.668
flat angles C4'-P-C4' energy: -129.531
flat angles P-C4'-P energy: -87.953
tors. eta vs tors. theta energy: -149.896
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: 8, replica: 1
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1528.896625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.896625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.896625 (E_RNA)
where:
Base-Base interactions energy: -1001.530
where: short stacking energy: -441.014
Base-Backbone interact. energy: 6.408
local terms energy: -533.775267
where:
bonds (distance) C4'-P energy: -98.410
bonds (distance) P-C4' energy: -128.374
flat angles C4'-P-C4' energy: -146.203
flat angles P-C4'-P energy: -83.362
tors. eta vs tors. theta energy: -77.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1338.317453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.317453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.317453 (E_RNA)
where:
Base-Base interactions energy: -863.285
where: short stacking energy: -390.405
Base-Backbone interact. energy: 3.616
local terms energy: -478.648003
where:
bonds (distance) C4'-P energy: -114.209
bonds (distance) P-C4' energy: -116.487
flat angles C4'-P-C4' energy: -114.563
flat angles P-C4'-P energy: -71.357
tors. eta vs tors. theta energy: -62.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -1105.753577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.753577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.753577 (E_RNA)
where:
Base-Base interactions energy: -670.153
where: short stacking energy: -313.118
Base-Backbone interact. energy: -1.642
local terms energy: -433.958417
where:
bonds (distance) C4'-P energy: -118.419
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -101.497
flat angles P-C4'-P energy: -61.904
tors. eta vs tors. theta energy: -21.226
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: 472
Temperature: 0.900000
Total energy: -2580.804379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.804379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.804379 (E_RNA)
where:
Base-Base interactions energy: -1816.921
where: short stacking energy: -748.170
Base-Backbone interact. energy: -2.050
local terms energy: -761.833435
where:
bonds (distance) C4'-P energy: -140.279
bonds (distance) P-C4' energy: -130.758
flat angles C4'-P-C4' energy: -165.351
flat angles P-C4'-P energy: -106.200
tors. eta vs tors. theta energy: -219.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2522.162912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.162912 (E_RNA)
where:
Base-Base interactions energy: -1796.338
where: short stacking energy: -753.419
Base-Backbone interact. energy: -0.847
local terms energy: -724.978140
where:
bonds (distance) C4'-P energy: -129.510
bonds (distance) P-C4' energy: -128.983
flat angles C4'-P-C4' energy: -155.610
flat angles P-C4'-P energy: -109.585
tors. eta vs tors. theta energy: -201.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2446.867254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.867254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.867254 (E_RNA)
where:
Base-Base interactions energy: -1694.235
where: short stacking energy: -732.658
Base-Backbone interact. energy: -0.857
local terms energy: -751.775106
where:
bonds (distance) C4'-P energy: -140.448
bonds (distance) P-C4' energy: -141.111
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -93.813
tors. eta vs tors. theta energy: -222.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2349.836949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.836949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.836949 (E_RNA)
where:
Base-Base interactions energy: -1673.385
where: short stacking energy: -715.603
Base-Backbone interact. energy: -0.521
local terms energy: -675.930508
where:
bonds (distance) C4'-P energy: -124.211
bonds (distance) P-C4' energy: -109.571
flat angles C4'-P-C4' energy: -142.522
flat angles P-C4'-P energy: -93.966
tors. eta vs tors. theta energy: -205.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2279.889826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.889826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.889826 (E_RNA)
where:
Base-Base interactions energy: -1641.129
where: short stacking energy: -679.928
Base-Backbone interact. energy: -1.627
local terms energy: -637.133686
where:
bonds (distance) C4'-P energy: -101.395
bonds (distance) P-C4' energy: -121.269
flat angles C4'-P-C4' energy: -138.233
flat angles P-C4'-P energy: -90.347
tors. eta vs tors. theta energy: -185.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -2139.068597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.068597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.068597 (E_RNA)
where:
Base-Base interactions energy: -1509.388
where: short stacking energy: -623.674
Base-Backbone interact. energy: -0.179
local terms energy: -629.501435
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -126.001
flat angles C4'-P-C4' energy: -132.450
flat angles P-C4'-P energy: -76.661
tors. eta vs tors. theta energy: -174.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1997.930898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.930898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.930898 (E_RNA)
where:
Base-Base interactions energy: -1421.117
where: short stacking energy: -561.860
Base-Backbone interact. energy: 4.515
local terms energy: -581.329192
where:
bonds (distance) C4'-P energy: -111.583
bonds (distance) P-C4' energy: -119.406
flat angles C4'-P-C4' energy: -134.227
flat angles P-C4'-P energy: -79.713
tors. eta vs tors. theta energy: -136.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1494.290639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.290639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.290639 (E_RNA)
where:
Base-Base interactions energy: -1009.898
where: short stacking energy: -422.187
Base-Backbone interact. energy: 1.529
local terms energy: -485.921144
where:
bonds (distance) C4'-P energy: -127.326
bonds (distance) P-C4' energy: -108.341
flat angles C4'-P-C4' energy: -126.208
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: -68.991
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: 4
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1282.453614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.453614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.453614 (E_RNA)
where:
Base-Base interactions energy: -835.818
where: short stacking energy: -371.037
Base-Backbone interact. energy: -3.545
local terms energy: -443.090160
where:
bonds (distance) C4'-P energy: -104.795
bonds (distance) P-C4' energy: -102.331
flat angles C4'-P-C4' energy: -111.132
flat angles P-C4'-P energy: -71.844
tors. eta vs tors. theta energy: -52.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -1140.037838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.037838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.037838 (E_RNA)
where:
Base-Base interactions energy: -739.266
where: short stacking energy: -342.125
Base-Backbone interact. energy: -0.199
local terms energy: -400.572913
where:
bonds (distance) C4'-P energy: -104.405
bonds (distance) P-C4' energy: -111.330
flat angles C4'-P-C4' energy: -96.442
flat angles P-C4'-P energy: -45.814
tors. eta vs tors. theta energy: -42.582
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: 5
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2572.473480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.473480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.473480 (E_RNA)
where:
Base-Base interactions energy: -1819.971
where: short stacking energy: -767.028
Base-Backbone interact. energy: -4.452
local terms energy: -748.051275
where:
bonds (distance) C4'-P energy: -139.794
bonds (distance) P-C4' energy: -135.324
flat angles C4'-P-C4' energy: -158.035
flat angles P-C4'-P energy: -98.286
tors. eta vs tors. theta energy: -216.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2513.895266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.895266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.895266 (E_RNA)
where:
Base-Base interactions energy: -1793.080
where: short stacking energy: -715.396
Base-Backbone interact. energy: -3.254
local terms energy: -717.561834
where:
bonds (distance) C4'-P energy: -130.295
bonds (distance) P-C4' energy: -138.187
flat angles C4'-P-C4' energy: -153.390
flat angles P-C4'-P energy: -96.672
tors. eta vs tors. theta energy: -199.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2416.933305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.933305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.933305 (E_RNA)
where:
Base-Base interactions energy: -1706.650
where: short stacking energy: -730.496
Base-Backbone interact. energy: -1.182
local terms energy: -709.100953
where:
bonds (distance) C4'-P energy: -110.010
bonds (distance) P-C4' energy: -121.810
flat angles C4'-P-C4' energy: -161.418
flat angles P-C4'-P energy: -110.451
tors. eta vs tors. theta energy: -205.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2333.386546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.386546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.386546 (E_RNA)
where:
Base-Base interactions energy: -1647.482
where: short stacking energy: -685.562
Base-Backbone interact. energy: -2.312
local terms energy: -683.593342
where:
bonds (distance) C4'-P energy: -122.179
bonds (distance) P-C4' energy: -119.697
flat angles C4'-P-C4' energy: -155.803
flat angles P-C4'-P energy: -94.223
tors. eta vs tors. theta energy: -191.692
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: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2239.213026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.213026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.213026 (E_RNA)
where:
Base-Base interactions energy: -1578.071
where: short stacking energy: -653.451
Base-Backbone interact. energy: -3.680
local terms energy: -657.462865
where:
bonds (distance) C4'-P energy: -120.327
bonds (distance) P-C4' energy: -108.962
flat angles C4'-P-C4' energy: -144.416
flat angles P-C4'-P energy: -96.546
tors. eta vs tors. theta energy: -187.212
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: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -2130.132081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.132081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.132081 (E_RNA)
where:
Base-Base interactions energy: -1476.693
where: short stacking energy: -623.686
Base-Backbone interact. energy: 0.653
local terms energy: -654.092079
where:
bonds (distance) C4'-P energy: -125.013
bonds (distance) P-C4' energy: -132.107
flat angles C4'-P-C4' energy: -131.629
flat angles P-C4'-P energy: -94.359
tors. eta vs tors. theta energy: -170.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1967.528771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.528771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.528771 (E_RNA)
where:
Base-Base interactions energy: -1402.030
where: short stacking energy: -568.852
Base-Backbone interact. energy: 2.942
local terms energy: -568.441024
where:
bonds (distance) C4'-P energy: -89.986
bonds (distance) P-C4' energy: -117.539
flat angles C4'-P-C4' energy: -129.287
flat angles P-C4'-P energy: -97.116
tors. eta vs tors. theta energy: -134.513
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: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1538.126241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.126241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.126241 (E_RNA)
where:
Base-Base interactions energy: -1027.742
where: short stacking energy: -442.354
Base-Backbone interact. energy: 5.413
local terms energy: -515.797113
where:
bonds (distance) C4'-P energy: -103.594
bonds (distance) P-C4' energy: -116.127
flat angles C4'-P-C4' energy: -113.998
flat angles P-C4'-P energy: -85.118
tors. eta vs tors. theta energy: -96.961
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: 4
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1297.940930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.940930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.940930 (E_RNA)
where:
Base-Base interactions energy: -820.775
where: short stacking energy: -356.745
Base-Backbone interact. energy: -0.818
local terms energy: -476.347870
where:
bonds (distance) C4'-P energy: -107.680
bonds (distance) P-C4' energy: -114.668
flat angles C4'-P-C4' energy: -127.670
flat angles P-C4'-P energy: -71.825
tors. eta vs tors. theta energy: -54.505
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: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -1128.354848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.354848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.354848 (E_RNA)
where:
Base-Base interactions energy: -711.104
where: short stacking energy: -341.563
Base-Backbone interact. energy: 4.425
local terms energy: -421.675810
where:
bonds (distance) C4'-P energy: -100.387
bonds (distance) P-C4' energy: -108.442
flat angles C4'-P-C4' energy: -113.853
flat angles P-C4'-P energy: -47.411
tors. eta vs tors. theta energy: -51.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2566.862436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.862436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.862436 (E_RNA)
where:
Base-Base interactions energy: -1818.237
where: short stacking energy: -751.495
Base-Backbone interact. energy: -2.701
local terms energy: -745.924864
where:
bonds (distance) C4'-P energy: -126.697
bonds (distance) P-C4' energy: -135.625
flat angles C4'-P-C4' energy: -161.285
flat angles P-C4'-P energy: -107.735
tors. eta vs tors. theta energy: -214.583
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: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2546.826014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.826014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.826014 (E_RNA)
where:
Base-Base interactions energy: -1800.463
where: short stacking energy: -732.243
Base-Backbone interact. energy: -4.301
local terms energy: -742.062248
where:
bonds (distance) C4'-P energy: -141.377
bonds (distance) P-C4' energy: -148.114
flat angles C4'-P-C4' energy: -153.278
flat angles P-C4'-P energy: -111.461
tors. eta vs tors. theta energy: -187.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2451.210232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.210232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.210232 (E_RNA)
where:
Base-Base interactions energy: -1731.259
where: short stacking energy: -746.955
Base-Backbone interact. energy: 2.383
local terms energy: -722.334020
where:
bonds (distance) C4'-P energy: -125.390
bonds (distance) P-C4' energy: -118.651
flat angles C4'-P-C4' energy: -159.193
flat angles P-C4'-P energy: -104.903
tors. eta vs tors. theta energy: -214.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2342.199621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.199621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.199621 (E_RNA)
where:
Base-Base interactions energy: -1645.032
where: short stacking energy: -690.382
Base-Backbone interact. energy: -2.623
local terms energy: -694.544189
where:
bonds (distance) C4'-P energy: -118.564
bonds (distance) P-C4' energy: -131.110
flat angles C4'-P-C4' energy: -154.307
flat angles P-C4'-P energy: -93.217
tors. eta vs tors. theta energy: -197.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2255.191614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.191614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.191614 (E_RNA)
where:
Base-Base interactions energy: -1603.179
where: short stacking energy: -674.275
Base-Backbone interact. energy: -1.564
local terms energy: -650.448032
where:
bonds (distance) C4'-P energy: -108.952
bonds (distance) P-C4' energy: -128.166
flat angles C4'-P-C4' energy: -138.317
flat angles P-C4'-P energy: -88.749
tors. eta vs tors. theta energy: -186.265
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: 6, replica: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -2156.805438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.805438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.805438 (E_RNA)
where:
Base-Base interactions energy: -1521.613
where: short stacking energy: -655.694
Base-Backbone interact. energy: -1.491
local terms energy: -633.701477
where:
bonds (distance) C4'-P energy: -113.745
bonds (distance) P-C4' energy: -103.569
flat angles C4'-P-C4' energy: -142.935
flat angles P-C4'-P energy: -98.025
tors. eta vs tors. theta energy: -175.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1975.538333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.538333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.538333 (E_RNA)
where:
Base-Base interactions energy: -1379.645
where: short stacking energy: -572.268
Base-Backbone interact. energy: -3.727
local terms energy: -592.166928
where:
bonds (distance) C4'-P energy: -103.402
bonds (distance) P-C4' energy: -136.167
flat angles C4'-P-C4' energy: -134.503
flat angles P-C4'-P energy: -66.748
tors. eta vs tors. theta energy: -151.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1580.539650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.539650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.539650 (E_RNA)
where:
Base-Base interactions energy: -1055.626
where: short stacking energy: -466.940
Base-Backbone interact. energy: -0.814
local terms energy: -524.099607
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -101.423
flat angles C4'-P-C4' energy: -131.863
flat angles P-C4'-P energy: -85.786
tors. eta vs tors. theta energy: -103.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1368.753461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.753461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.753461 (E_RNA)
where:
Base-Base interactions energy: -888.593
where: short stacking energy: -411.466
Base-Backbone interact. energy: -3.259
local terms energy: -476.900943
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -109.486
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -56.861
tors. eta vs tors. theta energy: -86.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -1045.425418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.425418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.425418 (E_RNA)
where:
Base-Base interactions energy: -645.002
where: short stacking energy: -287.098
Base-Backbone interact. energy: -0.776
local terms energy: -399.648263
where:
bonds (distance) C4'-P energy: -104.920
bonds (distance) P-C4' energy: -109.067
flat angles C4'-P-C4' energy: -107.185
flat angles P-C4'-P energy: -57.509
tors. eta vs tors. theta energy: -20.967
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: 5
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2580.613100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.613100 (E_RNA)
where:
Base-Base interactions energy: -1834.249
where: short stacking energy: -782.331
Base-Backbone interact. energy: -1.882
local terms energy: -744.482182
where:
bonds (distance) C4'-P energy: -139.812
bonds (distance) P-C4' energy: -123.381
flat angles C4'-P-C4' energy: -156.912
flat angles P-C4'-P energy: -100.746
tors. eta vs tors. theta energy: -223.632
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2537.843752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.843752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.843752 (E_RNA)
where:
Base-Base interactions energy: -1787.465
where: short stacking energy: -717.999
Base-Backbone interact. energy: -3.409
local terms energy: -746.970477
where:
bonds (distance) C4'-P energy: -146.264
bonds (distance) P-C4' energy: -142.461
flat angles C4'-P-C4' energy: -158.748
flat angles P-C4'-P energy: -101.964
tors. eta vs tors. theta energy: -197.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2448.361102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.361102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.361102 (E_RNA)
where:
Base-Base interactions energy: -1708.108
where: short stacking energy: -740.937
Base-Backbone interact. energy: -1.694
local terms energy: -738.559354
where:
bonds (distance) C4'-P energy: -133.521
bonds (distance) P-C4' energy: -118.314
flat angles C4'-P-C4' energy: -165.519
flat angles P-C4'-P energy: -107.868
tors. eta vs tors. theta energy: -213.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2372.303083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.303083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.303083 (E_RNA)
where:
Base-Base interactions energy: -1680.213
where: short stacking energy: -679.900
Base-Backbone interact. energy: -1.744
local terms energy: -690.346064
where:
bonds (distance) C4'-P energy: -115.116
bonds (distance) P-C4' energy: -123.432
flat angles C4'-P-C4' energy: -150.903
flat angles P-C4'-P energy: -96.075
tors. eta vs tors. theta energy: -204.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2219.520840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.520840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.520840 (E_RNA)
where:
Base-Base interactions energy: -1571.518
where: short stacking energy: -656.802
Base-Backbone interact. energy: -1.812
local terms energy: -646.191198
where:
bonds (distance) C4'-P energy: -114.466
bonds (distance) P-C4' energy: -126.119
flat angles C4'-P-C4' energy: -136.357
flat angles P-C4'-P energy: -100.036
tors. eta vs tors. theta energy: -169.213
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: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -2134.528255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.528255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.528255 (E_RNA)
where:
Base-Base interactions energy: -1503.008
where: short stacking energy: -610.427
Base-Backbone interact. energy: 0.560
local terms energy: -632.080646
where:
bonds (distance) C4'-P energy: -111.983
bonds (distance) P-C4' energy: -122.509
flat angles C4'-P-C4' energy: -149.502
flat angles P-C4'-P energy: -81.383
tors. eta vs tors. theta energy: -166.703
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: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1957.396462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.396462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.396462 (E_RNA)
where:
Base-Base interactions energy: -1363.208
where: short stacking energy: -588.475
Base-Backbone interact. energy: 0.139
local terms energy: -594.327280
where:
bonds (distance) C4'-P energy: -107.686
bonds (distance) P-C4' energy: -126.009
flat angles C4'-P-C4' energy: -141.999
flat angles P-C4'-P energy: -83.818
tors. eta vs tors. theta energy: -134.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1528.416855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.416855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.416855 (E_RNA)
where:
Base-Base interactions energy: -1007.124
where: short stacking energy: -428.230
Base-Backbone interact. energy: 0.017
local terms energy: -521.309723
where:
bonds (distance) C4'-P energy: -130.113
bonds (distance) P-C4' energy: -117.886
flat angles C4'-P-C4' energy: -117.806
flat angles P-C4'-P energy: -77.532
tors. eta vs tors. theta energy: -77.972
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: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1346.117571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.117571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.117571 (E_RNA)
where:
Base-Base interactions energy: -866.401
where: short stacking energy: -425.179
Base-Backbone interact. energy: -1.550
local terms energy: -478.165870
where:
bonds (distance) C4'-P energy: -106.344
bonds (distance) P-C4' energy: -100.904
flat angles C4'-P-C4' energy: -121.969
flat angles P-C4'-P energy: -74.216
tors. eta vs tors. theta energy: -74.734
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: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -1070.770995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.770995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.770995 (E_RNA)
where:
Base-Base interactions energy: -692.935
where: short stacking energy: -314.506
Base-Backbone interact. energy: -0.354
local terms energy: -377.481997
where:
bonds (distance) C4'-P energy: -109.487
bonds (distance) P-C4' energy: -104.248
flat angles C4'-P-C4' energy: -89.631
flat angles P-C4'-P energy: -61.503
tors. eta vs tors. theta energy: -12.613
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: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2588.092339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.092339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.092339 (E_RNA)
where:
Base-Base interactions energy: -1825.238
where: short stacking energy: -738.439
Base-Backbone interact. energy: -6.325
local terms energy: -756.529527
where:
bonds (distance) C4'-P energy: -141.640
bonds (distance) P-C4' energy: -138.829
flat angles C4'-P-C4' energy: -161.192
flat angles P-C4'-P energy: -104.142
tors. eta vs tors. theta energy: -210.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2532.729436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.729436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.729436 (E_RNA)
where:
Base-Base interactions energy: -1795.567
where: short stacking energy: -738.568
Base-Backbone interact. energy: -4.457
local terms energy: -732.705769
where:
bonds (distance) C4'-P energy: -140.572
bonds (distance) P-C4' energy: -147.436
flat angles C4'-P-C4' energy: -150.632
flat angles P-C4'-P energy: -96.367
tors. eta vs tors. theta energy: -197.699
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: 10
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2432.708496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.708496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.708496 (E_RNA)
where:
Base-Base interactions energy: -1717.394
where: short stacking energy: -739.892
Base-Backbone interact. energy: -1.158
local terms energy: -714.156668
where:
bonds (distance) C4'-P energy: -129.866
bonds (distance) P-C4' energy: -126.406
flat angles C4'-P-C4' energy: -150.535
flat angles P-C4'-P energy: -99.924
tors. eta vs tors. theta energy: -207.426
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: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2386.197283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.197283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.197283 (E_RNA)
where:
Base-Base interactions energy: -1673.789
where: short stacking energy: -682.240
Base-Backbone interact. energy: -2.615
local terms energy: -709.793050
where:
bonds (distance) C4'-P energy: -120.448
bonds (distance) P-C4' energy: -119.192
flat angles C4'-P-C4' energy: -161.024
flat angles P-C4'-P energy: -103.184
tors. eta vs tors. theta energy: -205.945
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: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2227.434192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.434192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.434192 (E_RNA)
where:
Base-Base interactions energy: -1581.057
where: short stacking energy: -650.851
Base-Backbone interact. energy: -1.111
local terms energy: -645.265613
where:
bonds (distance) C4'-P energy: -107.514
bonds (distance) P-C4' energy: -108.269
flat angles C4'-P-C4' energy: -149.552
flat angles P-C4'-P energy: -94.406
tors. eta vs tors. theta energy: -185.524
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: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -2185.793347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2185.793347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2185.793347 (E_RNA)
where:
Base-Base interactions energy: -1554.081
where: short stacking energy: -629.158
Base-Backbone interact. energy: 4.328
local terms energy: -636.041182
where:
bonds (distance) C4'-P energy: -102.953
bonds (distance) P-C4' energy: -128.411
flat angles C4'-P-C4' energy: -144.765
flat angles P-C4'-P energy: -85.498
tors. eta vs tors. theta energy: -174.414
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: 3
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1920.051099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.051099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.051099 (E_RNA)
where:
Base-Base interactions energy: -1375.172
where: short stacking energy: -560.198
Base-Backbone interact. energy: 1.528
local terms energy: -546.407857
where:
bonds (distance) C4'-P energy: -113.627
bonds (distance) P-C4' energy: -111.274
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -69.607
tors. eta vs tors. theta energy: -131.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1518.119991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.119991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.119991 (E_RNA)
where:
Base-Base interactions energy: -1016.014
where: short stacking energy: -448.936
Base-Backbone interact. energy: -4.216
local terms energy: -497.889197
where:
bonds (distance) C4'-P energy: -106.152
bonds (distance) P-C4' energy: -102.501
flat angles C4'-P-C4' energy: -122.764
flat angles P-C4'-P energy: -78.758
tors. eta vs tors. theta energy: -87.714
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: 9, replica: 4
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1304.065608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.065608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.065608 (E_RNA)
where:
Base-Base interactions energy: -852.160
where: short stacking energy: -357.612
Base-Backbone interact. energy: -0.387
local terms energy: -451.518484
where:
bonds (distance) C4'-P energy: -107.932
bonds (distance) P-C4' energy: -114.708
flat angles C4'-P-C4' energy: -125.383
flat angles P-C4'-P energy: -59.649
tors. eta vs tors. theta energy: -43.846
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: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -1102.919393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.919393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.919393 (E_RNA)
where:
Base-Base interactions energy: -678.243
where: short stacking energy: -303.200
Base-Backbone interact. energy: -1.569
local terms energy: -423.106803
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -101.099
flat angles C4'-P-C4' energy: -116.119
flat angles P-C4'-P energy: -66.939
tors. eta vs tors. theta energy: -39.160
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: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2560.341979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.341979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.341979 (E_RNA)
where:
Base-Base interactions energy: -1809.248
where: short stacking energy: -748.592
Base-Backbone interact. energy: -4.380
local terms energy: -746.713959
where:
bonds (distance) C4'-P energy: -144.315
bonds (distance) P-C4' energy: -128.123
flat angles C4'-P-C4' energy: -162.206
flat angles P-C4'-P energy: -107.616
tors. eta vs tors. theta energy: -204.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2550.022239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.022239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.022239 (E_RNA)
where:
Base-Base interactions energy: -1805.650
where: short stacking energy: -729.780
Base-Backbone interact. energy: -4.116
local terms energy: -740.256302
where:
bonds (distance) C4'-P energy: -137.740
bonds (distance) P-C4' energy: -137.956
flat angles C4'-P-C4' energy: -160.043
flat angles P-C4'-P energy: -99.664
tors. eta vs tors. theta energy: -204.853
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: 3, replica: 10
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2405.362407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.362407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.362407 (E_RNA)
where:
Base-Base interactions energy: -1675.305
where: short stacking energy: -723.291
Base-Backbone interact. energy: -0.366
local terms energy: -729.691837
where:
bonds (distance) C4'-P energy: -128.205
bonds (distance) P-C4' energy: -148.563
flat angles C4'-P-C4' energy: -147.036
flat angles P-C4'-P energy: -91.190
tors. eta vs tors. theta energy: -214.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2357.134391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.134391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.134391 (E_RNA)
where:
Base-Base interactions energy: -1666.013
where: short stacking energy: -685.313
Base-Backbone interact. energy: -2.415
local terms energy: -688.706393
where:
bonds (distance) C4'-P energy: -116.996
bonds (distance) P-C4' energy: -129.944
flat angles C4'-P-C4' energy: -152.151
flat angles P-C4'-P energy: -99.579
tors. eta vs tors. theta energy: -190.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2228.166366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.166366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.166366 (E_RNA)
where:
Base-Base interactions energy: -1549.354
where: short stacking energy: -692.253
Base-Backbone interact. energy: -0.766
local terms energy: -678.047274
where:
bonds (distance) C4'-P energy: -107.007
bonds (distance) P-C4' energy: -129.459
flat angles C4'-P-C4' energy: -164.053
flat angles P-C4'-P energy: -90.503
tors. eta vs tors. theta energy: -187.025
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: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -2203.906427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.906427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.906427 (E_RNA)
where:
Base-Base interactions energy: -1556.212
where: short stacking energy: -668.032
Base-Backbone interact. energy: -3.038
local terms energy: -644.656157
where:
bonds (distance) C4'-P energy: -108.064
bonds (distance) P-C4' energy: -117.009
flat angles C4'-P-C4' energy: -133.215
flat angles P-C4'-P energy: -101.779
tors. eta vs tors. theta energy: -184.589
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: 3
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1976.170653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.170653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.170653 (E_RNA)
where:
Base-Base interactions energy: -1376.548
where: short stacking energy: -582.613
Base-Backbone interact. energy: -4.124
local terms energy: -595.498067
where:
bonds (distance) C4'-P energy: -133.605
bonds (distance) P-C4' energy: -120.691
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -79.069
tors. eta vs tors. theta energy: -139.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1540.671025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.671025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.671025 (E_RNA)
where:
Base-Base interactions energy: -1042.160
where: short stacking energy: -450.061
Base-Backbone interact. energy: 0.078
local terms energy: -498.589005
where:
bonds (distance) C4'-P energy: -93.643
bonds (distance) P-C4' energy: -114.396
flat angles C4'-P-C4' energy: -114.920
flat angles P-C4'-P energy: -70.472
tors. eta vs tors. theta energy: -105.158
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: 4
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1372.372845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.372845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.372845 (E_RNA)
where:
Base-Base interactions energy: -895.577
where: short stacking energy: -398.198
Base-Backbone interact. energy: 2.157
local terms energy: -478.952811
where:
bonds (distance) C4'-P energy: -123.501
bonds (distance) P-C4' energy: -103.519
flat angles C4'-P-C4' energy: -106.123
flat angles P-C4'-P energy: -89.231
tors. eta vs tors. theta energy: -56.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -1100.779782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.779782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.779782 (E_RNA)
where:
Base-Base interactions energy: -651.975
where: short stacking energy: -289.790
Base-Backbone interact. energy: -2.696
local terms energy: -446.108240
where:
bonds (distance) C4'-P energy: -103.406
bonds (distance) P-C4' energy: -133.803
flat angles C4'-P-C4' energy: -106.871
flat angles P-C4'-P energy: -64.136
tors. eta vs tors. theta energy: -37.892
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: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2588.139814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.139814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.139814 (E_RNA)
where:
Base-Base interactions energy: -1828.401
where: short stacking energy: -755.960
Base-Backbone interact. energy: -2.721
local terms energy: -757.018039
where:
bonds (distance) C4'-P energy: -148.586
bonds (distance) P-C4' energy: -127.170
flat angles C4'-P-C4' energy: -160.323
flat angles P-C4'-P energy: -106.463
tors. eta vs tors. theta energy: -214.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2534.769047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.769047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.769047 (E_RNA)
where:
Base-Base interactions energy: -1813.733
where: short stacking energy: -733.442
Base-Backbone interact. energy: 2.640
local terms energy: -723.675765
where:
bonds (distance) C4'-P energy: -129.627
bonds (distance) P-C4' energy: -134.398
flat angles C4'-P-C4' energy: -145.523
flat angles P-C4'-P energy: -112.089
tors. eta vs tors. theta energy: -202.038
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: 10
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2431.678331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2431.678331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2431.678331 (E_RNA)
where:
Base-Base interactions energy: -1683.240
where: short stacking energy: -743.923
Base-Backbone interact. energy: -1.956
local terms energy: -746.482153
where:
bonds (distance) C4'-P energy: -124.908
bonds (distance) P-C4' energy: -139.196
flat angles C4'-P-C4' energy: -153.014
flat angles P-C4'-P energy: -104.373
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: 4, replica: 2
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2359.761689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.761689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.761689 (E_RNA)
where:
Base-Base interactions energy: -1659.933
where: short stacking energy: -664.944
Base-Backbone interact. energy: -0.189
local terms energy: -699.640019
where:
bonds (distance) C4'-P energy: -133.411
bonds (distance) P-C4' energy: -130.455
flat angles C4'-P-C4' energy: -149.099
flat angles P-C4'-P energy: -87.482
tors. eta vs tors. theta energy: -199.193
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: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2243.436417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.436417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.436417 (E_RNA)
where:
Base-Base interactions energy: -1567.770
where: short stacking energy: -680.995
Base-Backbone interact. energy: -1.577
local terms energy: -674.089769
where:
bonds (distance) C4'-P energy: -121.099
bonds (distance) P-C4' energy: -120.689
flat angles C4'-P-C4' energy: -137.071
flat angles P-C4'-P energy: -102.922
tors. eta vs tors. theta energy: -192.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -2162.851165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.851165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.851165 (E_RNA)
where:
Base-Base interactions energy: -1514.126
where: short stacking energy: -646.900
Base-Backbone interact. energy: -1.764
local terms energy: -646.961224
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -133.364
flat angles C4'-P-C4' energy: -131.244
flat angles P-C4'-P energy: -88.906
tors. eta vs tors. theta energy: -175.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1919.965298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.965298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.965298 (E_RNA)
where:
Base-Base interactions energy: -1327.128
where: short stacking energy: -547.960
Base-Backbone interact. energy: -0.947
local terms energy: -591.890675
where:
bonds (distance) C4'-P energy: -115.891
bonds (distance) P-C4' energy: -130.700
flat angles C4'-P-C4' energy: -120.890
flat angles P-C4'-P energy: -91.922
tors. eta vs tors. theta energy: -132.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1551.868878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.868878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.868878 (E_RNA)
where:
Base-Base interactions energy: -1030.210
where: short stacking energy: -450.357
Base-Backbone interact. energy: -3.668
local terms energy: -517.991518
where:
bonds (distance) C4'-P energy: -103.278
bonds (distance) P-C4' energy: -121.122
flat angles C4'-P-C4' energy: -111.953
flat angles P-C4'-P energy: -88.078
tors. eta vs tors. theta energy: -93.561
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: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1345.921911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.921911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.921911 (E_RNA)
where:
Base-Base interactions energy: -904.871
where: short stacking energy: -386.659
Base-Backbone interact. energy: -0.938
local terms energy: -440.113055
where:
bonds (distance) C4'-P energy: -87.888
bonds (distance) P-C4' energy: -113.650
flat angles C4'-P-C4' energy: -118.802
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -54.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -1198.386582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.386582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.386582 (E_RNA)
where:
Base-Base interactions energy: -765.171
where: short stacking energy: -341.445
Base-Backbone interact. energy: 5.319
local terms energy: -438.534233
where:
bonds (distance) C4'-P energy: -128.409
bonds (distance) P-C4' energy: -114.187
flat angles C4'-P-C4' energy: -101.524
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -40.884
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: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2585.609375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.609375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.609375 (E_RNA)
where:
Base-Base interactions energy: -1806.827
where: short stacking energy: -768.556
Base-Backbone interact. energy: -4.894
local terms energy: -773.888416
where:
bonds (distance) C4'-P energy: -134.470
bonds (distance) P-C4' energy: -128.493
flat angles C4'-P-C4' energy: -172.491
flat angles P-C4'-P energy: -112.178
tors. eta vs tors. theta energy: -226.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2525.722842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.722842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.722842 (E_RNA)
where:
Base-Base interactions energy: -1795.742
where: short stacking energy: -725.657
Base-Backbone interact. energy: 0.550
local terms energy: -730.530108
where:
bonds (distance) C4'-P energy: -139.296
bonds (distance) P-C4' energy: -129.459
flat angles C4'-P-C4' energy: -149.464
flat angles P-C4'-P energy: -107.908
tors. eta vs tors. theta energy: -204.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2419.383319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.383319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.383319 (E_RNA)
where:
Base-Base interactions energy: -1700.184
where: short stacking energy: -739.604
Base-Backbone interact. energy: -1.649
local terms energy: -717.550403
where:
bonds (distance) C4'-P energy: -119.250
bonds (distance) P-C4' energy: -128.735
flat angles C4'-P-C4' energy: -159.052
flat angles P-C4'-P energy: -94.119
tors. eta vs tors. theta energy: -216.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2350.637098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.637098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.637098 (E_RNA)
where:
Base-Base interactions energy: -1654.145
where: short stacking energy: -692.087
Base-Backbone interact. energy: -2.535
local terms energy: -693.956445
where:
bonds (distance) C4'-P energy: -110.538
bonds (distance) P-C4' energy: -136.669
flat angles C4'-P-C4' energy: -143.279
flat angles P-C4'-P energy: -120.645
tors. eta vs tors. theta energy: -182.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2295.746358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.746358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.746358 (E_RNA)
where:
Base-Base interactions energy: -1627.302
where: short stacking energy: -671.756
Base-Backbone interact. energy: 2.845
local terms energy: -671.289147
where:
bonds (distance) C4'-P energy: -120.783
bonds (distance) P-C4' energy: -121.021
flat angles C4'-P-C4' energy: -146.251
flat angles P-C4'-P energy: -95.797
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: 6, replica: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -2170.528489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.528489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.528489 (E_RNA)
where:
Base-Base interactions energy: -1541.071
where: short stacking energy: -642.364
Base-Backbone interact. energy: 6.138
local terms energy: -635.595750
where:
bonds (distance) C4'-P energy: -123.015
bonds (distance) P-C4' energy: -115.096
flat angles C4'-P-C4' energy: -142.274
flat angles P-C4'-P energy: -83.796
tors. eta vs tors. theta energy: -171.414
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: 3
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1953.598817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.598817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.598817 (E_RNA)
where:
Base-Base interactions energy: -1368.030
where: short stacking energy: -547.283
Base-Backbone interact. energy: -2.484
local terms energy: -583.084556
where:
bonds (distance) C4'-P energy: -122.650
bonds (distance) P-C4' energy: -115.733
flat angles C4'-P-C4' energy: -130.141
flat angles P-C4'-P energy: -70.703
tors. eta vs tors. theta energy: -143.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1528.634450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.634450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.634450 (E_RNA)
where:
Base-Base interactions energy: -1000.353
where: short stacking energy: -437.531
Base-Backbone interact. energy: 1.115
local terms energy: -529.396524
where:
bonds (distance) C4'-P energy: -113.445
bonds (distance) P-C4' energy: -126.847
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -75.175
tors. eta vs tors. theta energy: -80.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1289.680534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.680534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.680534 (E_RNA)
where:
Base-Base interactions energy: -813.743
where: short stacking energy: -375.698
Base-Backbone interact. energy: -0.889
local terms energy: -475.048237
where:
bonds (distance) C4'-P energy: -115.912
bonds (distance) P-C4' energy: -120.612
flat angles C4'-P-C4' energy: -110.943
flat angles P-C4'-P energy: -63.419
tors. eta vs tors. theta energy: -64.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -1187.192474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.192474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.192474 (E_RNA)
where:
Base-Base interactions energy: -724.315
where: short stacking energy: -327.629
Base-Backbone interact. energy: 4.862
local terms energy: -467.738934
where:
bonds (distance) C4'-P energy: -118.168
bonds (distance) P-C4' energy: -107.267
flat angles C4'-P-C4' energy: -111.448
flat angles P-C4'-P energy: -68.631
tors. eta vs tors. theta energy: -62.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2588.640141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.640141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.640141 (E_RNA)
where:
Base-Base interactions energy: -1841.562
where: short stacking energy: -769.147
Base-Backbone interact. energy: -4.821
local terms energy: -742.257776
where:
bonds (distance) C4'-P energy: -135.233
bonds (distance) P-C4' energy: -138.526
flat angles C4'-P-C4' energy: -160.315
flat angles P-C4'-P energy: -99.603
tors. eta vs tors. theta energy: -208.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2523.603688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.603688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.603688 (E_RNA)
where:
Base-Base interactions energy: -1770.893
where: short stacking energy: -735.740
Base-Backbone interact. energy: 2.807
local terms energy: -755.517385
where:
bonds (distance) C4'-P energy: -139.374
bonds (distance) P-C4' energy: -153.260
flat angles C4'-P-C4' energy: -163.487
flat angles P-C4'-P energy: -98.308
tors. eta vs tors. theta energy: -201.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2429.812500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.812500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.812500 (E_RNA)
where:
Base-Base interactions energy: -1701.367
where: short stacking energy: -739.578
Base-Backbone interact. energy: -3.016
local terms energy: -725.430041
where:
bonds (distance) C4'-P energy: -122.038
bonds (distance) P-C4' energy: -137.989
flat angles C4'-P-C4' energy: -155.557
flat angles P-C4'-P energy: -90.064
tors. eta vs tors. theta energy: -219.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2331.337346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.337346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.337346 (E_RNA)
where:
Base-Base interactions energy: -1628.977
where: short stacking energy: -675.447
Base-Backbone interact. energy: -1.374
local terms energy: -700.986251
where:
bonds (distance) C4'-P energy: -122.119
bonds (distance) P-C4' energy: -127.259
flat angles C4'-P-C4' energy: -158.581
flat angles P-C4'-P energy: -100.153
tors. eta vs tors. theta energy: -192.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2243.344078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.344078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.344078 (E_RNA)
where:
Base-Base interactions energy: -1601.211
where: short stacking energy: -665.039
Base-Backbone interact. energy: -1.661
local terms energy: -640.471410
where:
bonds (distance) C4'-P energy: -116.310
bonds (distance) P-C4' energy: -115.153
flat angles C4'-P-C4' energy: -129.815
flat angles P-C4'-P energy: -92.407
tors. eta vs tors. theta energy: -186.786
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: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -2196.851388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.851388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.851388 (E_RNA)
where:
Base-Base interactions energy: -1533.890
where: short stacking energy: -642.172
Base-Backbone interact. energy: -1.481
local terms energy: -661.480558
where:
bonds (distance) C4'-P energy: -124.088
bonds (distance) P-C4' energy: -117.434
flat angles C4'-P-C4' energy: -137.371
flat angles P-C4'-P energy: -88.153
tors. eta vs tors. theta energy: -194.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -2035.476761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.476761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.476761 (E_RNA)
where:
Base-Base interactions energy: -1417.229
where: short stacking energy: -590.963
Base-Backbone interact. energy: 2.488
local terms energy: -620.735571
where:
bonds (distance) C4'-P energy: -131.829
bonds (distance) P-C4' energy: -124.056
flat angles C4'-P-C4' energy: -139.610
flat angles P-C4'-P energy: -72.286
tors. eta vs tors. theta energy: -152.954
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: 1
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1599.051261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.051261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.051261 (E_RNA)
where:
Base-Base interactions energy: -1073.950
where: short stacking energy: -462.562
Base-Backbone interact. energy: -1.197
local terms energy: -523.904082
where:
bonds (distance) C4'-P energy: -116.004
bonds (distance) P-C4' energy: -121.742
flat angles C4'-P-C4' energy: -131.675
flat angles P-C4'-P energy: -64.334
tors. eta vs tors. theta energy: -90.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1350.268019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.268019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.268019 (E_RNA)
where:
Base-Base interactions energy: -898.968
where: short stacking energy: -390.770
Base-Backbone interact. energy: -0.271
local terms energy: -451.029030
where:
bonds (distance) C4'-P energy: -97.141
bonds (distance) P-C4' energy: -113.293
flat angles C4'-P-C4' energy: -117.100
flat angles P-C4'-P energy: -73.039
tors. eta vs tors. theta energy: -50.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -1116.786484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.786484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.786484 (E_RNA)
where:
Base-Base interactions energy: -689.659
where: short stacking energy: -325.159
Base-Backbone interact. energy: -2.567
local terms energy: -424.560436
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -114.210
flat angles C4'-P-C4' energy: -98.532
flat angles P-C4'-P energy: -73.350
tors. eta vs tors. theta energy: -47.385
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: 481
Temperature: 0.900000
Total energy: -2574.167691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.167691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.167691 (E_RNA)
where:
Base-Base interactions energy: -1813.821
where: short stacking energy: -761.659
Base-Backbone interact. energy: -5.840
local terms energy: -754.506108
where:
bonds (distance) C4'-P energy: -145.331
bonds (distance) P-C4' energy: -127.163
flat angles C4'-P-C4' energy: -155.152
flat angles P-C4'-P energy: -108.440
tors. eta vs tors. theta energy: -218.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2580.630851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.630851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.630851 (E_RNA)
where:
Base-Base interactions energy: -1839.382
where: short stacking energy: -748.561
Base-Backbone interact. energy: 1.911
local terms energy: -743.160284
where:
bonds (distance) C4'-P energy: -138.657
bonds (distance) P-C4' energy: -141.837
flat angles C4'-P-C4' energy: -162.340
flat angles P-C4'-P energy: -95.667
tors. eta vs tors. theta energy: -204.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2424.348751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.348751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.348751 (E_RNA)
where:
Base-Base interactions energy: -1702.031
where: short stacking energy: -723.483
Base-Backbone interact. energy: 0.372
local terms energy: -722.689734
where:
bonds (distance) C4'-P energy: -121.968
bonds (distance) P-C4' energy: -137.423
flat angles C4'-P-C4' energy: -157.763
flat angles P-C4'-P energy: -93.071
tors. eta vs tors. theta energy: -212.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2357.981563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2357.981563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2357.981563 (E_RNA)
where:
Base-Base interactions energy: -1656.563
where: short stacking energy: -709.738
Base-Backbone interact. energy: -2.076
local terms energy: -699.342460
where:
bonds (distance) C4'-P energy: -134.232
bonds (distance) P-C4' energy: -130.805
flat angles C4'-P-C4' energy: -151.413
flat angles P-C4'-P energy: -82.766
tors. eta vs tors. theta energy: -200.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2288.291012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.291012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.291012 (E_RNA)
where:
Base-Base interactions energy: -1635.127
where: short stacking energy: -671.853
Base-Backbone interact. energy: -1.998
local terms energy: -651.165925
where:
bonds (distance) C4'-P energy: -114.589
bonds (distance) P-C4' energy: -114.561
flat angles C4'-P-C4' energy: -152.863
flat angles P-C4'-P energy: -80.345
tors. eta vs tors. theta energy: -188.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -2197.206369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2197.206369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2197.206369 (E_RNA)
where:
Base-Base interactions energy: -1559.385
where: short stacking energy: -658.898
Base-Backbone interact. energy: -4.709
local terms energy: -633.112175
where:
bonds (distance) C4'-P energy: -120.052
bonds (distance) P-C4' energy: -121.302
flat angles C4'-P-C4' energy: -127.348
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: -181.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -2003.503651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.503651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.503651 (E_RNA)
where:
Base-Base interactions energy: -1428.414
where: short stacking energy: -589.684
Base-Backbone interact. energy: 3.314
local terms energy: -578.403562
where:
bonds (distance) C4'-P energy: -121.091
bonds (distance) P-C4' energy: -108.257
flat angles C4'-P-C4' energy: -132.522
flat angles P-C4'-P energy: -53.345
tors. eta vs tors. theta energy: -163.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1645.017347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.017347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.017347 (E_RNA)
where:
Base-Base interactions energy: -1130.932
where: short stacking energy: -467.333
Base-Backbone interact. energy: 0.220
local terms energy: -514.304773
where:
bonds (distance) C4'-P energy: -114.790
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -104.493
flat angles P-C4'-P energy: -79.399
tors. eta vs tors. theta energy: -95.970
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: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1349.794967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.794967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.794967 (E_RNA)
where:
Base-Base interactions energy: -867.303
where: short stacking energy: -377.247
Base-Backbone interact. energy: -2.025
local terms energy: -480.466749
where:
bonds (distance) C4'-P energy: -120.361
bonds (distance) P-C4' energy: -101.078
flat angles C4'-P-C4' energy: -109.651
flat angles P-C4'-P energy: -79.552
tors. eta vs tors. theta energy: -69.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -1084.554368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.554368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.554368 (E_RNA)
where:
Base-Base interactions energy: -656.961
where: short stacking energy: -323.309
Base-Backbone interact. energy: -1.286
local terms energy: -426.307761
where:
bonds (distance) C4'-P energy: -95.922
bonds (distance) P-C4' energy: -117.948
flat angles C4'-P-C4' energy: -104.841
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -50.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2616.351624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.351624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.351624 (E_RNA)
where:
Base-Base interactions energy: -1849.367
where: short stacking energy: -746.632
Base-Backbone interact. energy: -2.014
local terms energy: -764.970664
where:
bonds (distance) C4'-P energy: -143.449
bonds (distance) P-C4' energy: -154.828
flat angles C4'-P-C4' energy: -151.053
flat angles P-C4'-P energy: -112.972
tors. eta vs tors. theta energy: -202.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2546.757010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.757010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.757010 (E_RNA)
where:
Base-Base interactions energy: -1788.888
where: short stacking energy: -749.537
Base-Backbone interact. energy: -1.855
local terms energy: -756.014171
where:
bonds (distance) C4'-P energy: -141.733
bonds (distance) P-C4' energy: -138.637
flat angles C4'-P-C4' energy: -151.974
flat angles P-C4'-P energy: -103.562
tors. eta vs tors. theta energy: -220.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2409.664052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.664052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.664052 (E_RNA)
where:
Base-Base interactions energy: -1674.855
where: short stacking energy: -707.766
Base-Backbone interact. energy: -1.220
local terms energy: -733.588430
where:
bonds (distance) C4'-P energy: -134.101
bonds (distance) P-C4' energy: -133.490
flat angles C4'-P-C4' energy: -153.279
flat angles P-C4'-P energy: -103.389
tors. eta vs tors. theta energy: -209.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2378.258216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.258216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.258216 (E_RNA)
where:
Base-Base interactions energy: -1663.642
where: short stacking energy: -713.438
Base-Backbone interact. energy: -3.676
local terms energy: -710.940288
where:
bonds (distance) C4'-P energy: -122.421
bonds (distance) P-C4' energy: -137.003
flat angles C4'-P-C4' energy: -147.759
flat angles P-C4'-P energy: -100.772
tors. eta vs tors. theta energy: -202.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2250.134226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.134226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.134226 (E_RNA)
where:
Base-Base interactions energy: -1603.513
where: short stacking energy: -680.434
Base-Backbone interact. energy: -1.118
local terms energy: -645.503696
where:
bonds (distance) C4'-P energy: -107.042
bonds (distance) P-C4' energy: -124.292
flat angles C4'-P-C4' energy: -138.077
flat angles P-C4'-P energy: -89.651
tors. eta vs tors. theta energy: -186.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -2172.148979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.148979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.148979 (E_RNA)
where:
Base-Base interactions energy: -1484.229
where: short stacking energy: -650.182
Base-Backbone interact. energy: -2.014
local terms energy: -685.905871
where:
bonds (distance) C4'-P energy: -137.680
bonds (distance) P-C4' energy: -132.115
flat angles C4'-P-C4' energy: -140.149
flat angles P-C4'-P energy: -99.702
tors. eta vs tors. theta energy: -176.260
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: 3
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -2019.614461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.614461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.614461 (E_RNA)
where:
Base-Base interactions energy: -1427.739
where: short stacking energy: -590.766
Base-Backbone interact. energy: -2.889
local terms energy: -588.986170
where:
bonds (distance) C4'-P energy: -100.802
bonds (distance) P-C4' energy: -119.731
flat angles C4'-P-C4' energy: -130.164
flat angles P-C4'-P energy: -82.896
tors. eta vs tors. theta energy: -155.394
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: 1
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1660.811962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.811962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.811962 (E_RNA)
where:
Base-Base interactions energy: -1100.108
where: short stacking energy: -465.629
Base-Backbone interact. energy: -5.913
local terms energy: -554.790989
where:
bonds (distance) C4'-P energy: -110.274
bonds (distance) P-C4' energy: -129.490
flat angles C4'-P-C4' energy: -131.211
flat angles P-C4'-P energy: -79.842
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: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1265.294559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.294559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.294559 (E_RNA)
where:
Base-Base interactions energy: -802.796
where: short stacking energy: -344.572
Base-Backbone interact. energy: 4.501
local terms energy: -466.999681
where:
bonds (distance) C4'-P energy: -115.911
bonds (distance) P-C4' energy: -118.856
flat angles C4'-P-C4' energy: -102.177
flat angles P-C4'-P energy: -68.965
tors. eta vs tors. theta energy: -61.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -1145.691849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.691849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.691849 (E_RNA)
where:
Base-Base interactions energy: -735.071
where: short stacking energy: -362.766
Base-Backbone interact. energy: 3.360
local terms energy: -413.980520
where:
bonds (distance) C4'-P energy: -88.639
bonds (distance) P-C4' energy: -110.177
flat angles C4'-P-C4' energy: -102.973
flat angles P-C4'-P energy: -58.333
tors. eta vs tors. theta energy: -53.858
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2591.275310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.275310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.275310 (E_RNA)
where:
Base-Base interactions energy: -1837.747
where: short stacking energy: -725.533
Base-Backbone interact. energy: 2.747
local terms energy: -756.275735
where:
bonds (distance) C4'-P energy: -135.459
bonds (distance) P-C4' energy: -150.240
flat angles C4'-P-C4' energy: -158.694
flat angles P-C4'-P energy: -115.602
tors. eta vs tors. theta energy: -196.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2530.473350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.473350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.473350 (E_RNA)
where:
Base-Base interactions energy: -1774.239
where: short stacking energy: -747.780
Base-Backbone interact. energy: -1.655
local terms energy: -754.579400
where:
bonds (distance) C4'-P energy: -137.499
bonds (distance) P-C4' energy: -132.485
flat angles C4'-P-C4' energy: -161.294
flat angles P-C4'-P energy: -102.647
tors. eta vs tors. theta energy: -220.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2418.379038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.379038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.379038 (E_RNA)
where:
Base-Base interactions energy: -1696.850
where: short stacking energy: -728.129
Base-Backbone interact. energy: -0.962
local terms energy: -720.566765
where:
bonds (distance) C4'-P energy: -117.131
bonds (distance) P-C4' energy: -139.743
flat angles C4'-P-C4' energy: -159.484
flat angles P-C4'-P energy: -87.919
tors. eta vs tors. theta energy: -216.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2361.293282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.293282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.293282 (E_RNA)
where:
Base-Base interactions energy: -1692.706
where: short stacking energy: -673.265
Base-Backbone interact. energy: -0.499
local terms energy: -668.089036
where:
bonds (distance) C4'-P energy: -122.195
bonds (distance) P-C4' energy: -130.926
flat angles C4'-P-C4' energy: -134.064
flat angles P-C4'-P energy: -95.667
tors. eta vs tors. theta energy: -185.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2268.579442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.579442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.579442 (E_RNA)
where:
Base-Base interactions energy: -1608.853
where: short stacking energy: -670.800
Base-Backbone interact. energy: 0.936
local terms energy: -660.662256
where:
bonds (distance) C4'-P energy: -126.122
bonds (distance) P-C4' energy: -126.531
flat angles C4'-P-C4' energy: -145.193
flat angles P-C4'-P energy: -87.877
tors. eta vs tors. theta energy: -174.939
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: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -2144.408540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.408540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.408540 (E_RNA)
where:
Base-Base interactions energy: -1506.292
where: short stacking energy: -614.105
Base-Backbone interact. energy: -3.047
local terms energy: -635.069607
where:
bonds (distance) C4'-P energy: -121.708
bonds (distance) P-C4' energy: -144.272
flat angles C4'-P-C4' energy: -138.328
flat angles P-C4'-P energy: -83.568
tors. eta vs tors. theta energy: -147.194
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: 3
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -2036.799193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.799193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.799193 (E_RNA)
where:
Base-Base interactions energy: -1425.065
where: short stacking energy: -579.476
Base-Backbone interact. energy: -4.302
local terms energy: -607.432459
where:
bonds (distance) C4'-P energy: -102.103
bonds (distance) P-C4' energy: -121.096
flat angles C4'-P-C4' energy: -136.801
flat angles P-C4'-P energy: -95.719
tors. eta vs tors. theta energy: -151.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1617.659625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.659625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.659625 (E_RNA)
where:
Base-Base interactions energy: -1104.369
where: short stacking energy: -481.851
Base-Backbone interact. energy: -0.852
local terms energy: -512.439031
where:
bonds (distance) C4'-P energy: -100.398
bonds (distance) P-C4' energy: -101.858
flat angles C4'-P-C4' energy: -129.821
flat angles P-C4'-P energy: -66.214
tors. eta vs tors. theta energy: -114.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1252.124699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.124699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.124699 (E_RNA)
where:
Base-Base interactions energy: -796.293
where: short stacking energy: -374.354
Base-Backbone interact. energy: -2.064
local terms energy: -453.767159
where:
bonds (distance) C4'-P energy: -109.071
bonds (distance) P-C4' energy: -106.373
flat angles C4'-P-C4' energy: -115.705
flat angles P-C4'-P energy: -61.705
tors. eta vs tors. theta energy: -60.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -1169.889256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.889256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.889256 (E_RNA)
where:
Base-Base interactions energy: -730.097
where: short stacking energy: -349.271
Base-Backbone interact. energy: 1.505
local terms energy: -441.297083
where:
bonds (distance) C4'-P energy: -114.942
bonds (distance) P-C4' energy: -110.108
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -45.071
tors. eta vs tors. theta energy: -55.964
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: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2591.885990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.885990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.885990 (E_RNA)
where:
Base-Base interactions energy: -1841.859
where: short stacking energy: -771.417
Base-Backbone interact. energy: -2.766
local terms energy: -747.261010
where:
bonds (distance) C4'-P energy: -125.548
bonds (distance) P-C4' energy: -145.326
flat angles C4'-P-C4' energy: -174.460
flat angles P-C4'-P energy: -99.190
tors. eta vs tors. theta energy: -202.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2521.468433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.468433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.468433 (E_RNA)
where:
Base-Base interactions energy: -1786.432
where: short stacking energy: -749.492
Base-Backbone interact. energy: -0.518
local terms energy: -734.518661
where:
bonds (distance) C4'-P energy: -131.619
bonds (distance) P-C4' energy: -133.798
flat angles C4'-P-C4' energy: -154.379
flat angles P-C4'-P energy: -104.338
tors. eta vs tors. theta energy: -210.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -2411.989227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.989227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.989227 (E_RNA)
where:
Base-Base interactions energy: -1687.658
where: short stacking energy: -740.275
Base-Backbone interact. energy: 0.242
local terms energy: -724.572870
where:
bonds (distance) C4'-P energy: -127.821
bonds (distance) P-C4' energy: -137.259
flat angles C4'-P-C4' energy: -152.246
flat angles P-C4'-P energy: -101.418
tors. eta vs tors. theta energy: -205.829
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: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2367.723459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.723459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.723459 (E_RNA)
where:
Base-Base interactions energy: -1660.441
where: short stacking energy: -666.470
Base-Backbone interact. energy: -2.011
local terms energy: -705.271569
where:
bonds (distance) C4'-P energy: -124.682
bonds (distance) P-C4' energy: -139.945
flat angles C4'-P-C4' energy: -148.169
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -196.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2309.866248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.866248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.866248 (E_RNA)
where:
Base-Base interactions energy: -1641.418
where: short stacking energy: -706.586
Base-Backbone interact. energy: -2.758
local terms energy: -665.689837
where:
bonds (distance) C4'-P energy: -115.387
bonds (distance) P-C4' energy: -127.124
flat angles C4'-P-C4' energy: -140.445
flat angles P-C4'-P energy: -102.245
tors. eta vs tors. theta energy: -180.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -2195.541885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.541885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.541885 (E_RNA)
where:
Base-Base interactions energy: -1578.573
where: short stacking energy: -677.441
Base-Backbone interact. energy: 6.011
local terms energy: -622.979741
where:
bonds (distance) C4'-P energy: -118.295
bonds (distance) P-C4' energy: -113.486
flat angles C4'-P-C4' energy: -134.565
flat angles P-C4'-P energy: -79.210
tors. eta vs tors. theta energy: -177.424
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: 3
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1988.753102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.753102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.753102 (E_RNA)
where:
Base-Base interactions energy: -1397.809
where: short stacking energy: -587.181
Base-Backbone interact. energy: -0.013
local terms energy: -590.931232
where:
bonds (distance) C4'-P energy: -96.315
bonds (distance) P-C4' energy: -119.665
flat angles C4'-P-C4' energy: -121.776
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -153.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1617.090071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.090071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.090071 (E_RNA)
where:
Base-Base interactions energy: -1092.575
where: short stacking energy: -480.396
Base-Backbone interact. energy: 0.267
local terms energy: -524.782031
where:
bonds (distance) C4'-P energy: -106.353
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -134.196
flat angles P-C4'-P energy: -69.076
tors. eta vs tors. theta energy: -88.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1276.389582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.389582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.389582 (E_RNA)
where:
Base-Base interactions energy: -806.321
where: short stacking energy: -365.470
Base-Backbone interact. energy: 2.878
local terms energy: -472.946886
where:
bonds (distance) C4'-P energy: -114.510
bonds (distance) P-C4' energy: -114.435
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -67.714
tors. eta vs tors. theta energy: -50.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -1153.632340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.632340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.632340 (E_RNA)
where:
Base-Base interactions energy: -731.344
where: short stacking energy: -314.854
Base-Backbone interact. energy: -1.994
local terms energy: -420.294044
where:
bonds (distance) C4'-P energy: -127.163
bonds (distance) P-C4' energy: -113.187
flat angles C4'-P-C4' energy: -104.475
flat angles P-C4'-P energy: -50.992
tors. eta vs tors. theta energy: -24.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2589.232223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.232223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.232223 (E_RNA)
where:
Base-Base interactions energy: -1836.354
where: short stacking energy: -748.647
Base-Backbone interact. energy: -5.539
local terms energy: -747.338568
where:
bonds (distance) C4'-P energy: -118.152
bonds (distance) P-C4' energy: -147.652
flat angles C4'-P-C4' energy: -154.745
flat angles P-C4'-P energy: -112.357
tors. eta vs tors. theta energy: -214.433
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: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2522.285635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.285635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.285635 (E_RNA)
where:
Base-Base interactions energy: -1769.565
where: short stacking energy: -755.108
Base-Backbone interact. energy: -1.021
local terms energy: -751.700355
where:
bonds (distance) C4'-P energy: -129.108
bonds (distance) P-C4' energy: -140.468
flat angles C4'-P-C4' energy: -166.674
flat angles P-C4'-P energy: -100.366
tors. eta vs tors. theta energy: -215.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2458.428698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.428698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.428698 (E_RNA)
where:
Base-Base interactions energy: -1755.605
where: short stacking energy: -772.405
Base-Backbone interact. energy: -1.774
local terms energy: -701.049366
where:
bonds (distance) C4'-P energy: -118.257
bonds (distance) P-C4' energy: -115.724
flat angles C4'-P-C4' energy: -147.908
flat angles P-C4'-P energy: -94.981
tors. eta vs tors. theta energy: -224.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2382.637445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.637445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.637445 (E_RNA)
where:
Base-Base interactions energy: -1718.644
where: short stacking energy: -684.966
Base-Backbone interact. energy: -1.424
local terms energy: -662.569015
where:
bonds (distance) C4'-P energy: -110.650
bonds (distance) P-C4' energy: -126.274
flat angles C4'-P-C4' energy: -152.831
flat angles P-C4'-P energy: -94.195
tors. eta vs tors. theta energy: -178.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2291.081896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.081896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.081896 (E_RNA)
where:
Base-Base interactions energy: -1649.435
where: short stacking energy: -679.852
Base-Backbone interact. energy: -6.210
local terms energy: -635.436508
where:
bonds (distance) C4'-P energy: -116.235
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -139.457
flat angles P-C4'-P energy: -90.648
tors. eta vs tors. theta energy: -175.597
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: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -2215.058404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.058404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.058404 (E_RNA)
where:
Base-Base interactions energy: -1563.751
where: short stacking energy: -653.102
Base-Backbone interact. energy: -2.395
local terms energy: -648.911981
where:
bonds (distance) C4'-P energy: -124.879
bonds (distance) P-C4' energy: -126.762
flat angles C4'-P-C4' energy: -135.175
flat angles P-C4'-P energy: -96.774
tors. eta vs tors. theta energy: -165.321
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: 3
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -2022.641122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.641122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.641122 (E_RNA)
where:
Base-Base interactions energy: -1405.814
where: short stacking energy: -593.037
Base-Backbone interact. energy: 0.686
local terms energy: -617.512650
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -117.283
flat angles C4'-P-C4' energy: -129.930
flat angles P-C4'-P energy: -96.191
tors. eta vs tors. theta energy: -161.324
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: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1637.488430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.488430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.488430 (E_RNA)
where:
Base-Base interactions energy: -1123.082
where: short stacking energy: -477.984
Base-Backbone interact. energy: -1.832
local terms energy: -512.574667
where:
bonds (distance) C4'-P energy: -112.922
bonds (distance) P-C4' energy: -106.630
flat angles C4'-P-C4' energy: -122.836
flat angles P-C4'-P energy: -67.686
tors. eta vs tors. theta energy: -102.500
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: 9, replica: 4
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1263.669500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.669500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.669500 (E_RNA)
where:
Base-Base interactions energy: -786.212
where: short stacking energy: -355.406
Base-Backbone interact. energy: 0.409
local terms energy: -477.866511
where:
bonds (distance) C4'-P energy: -128.676
bonds (distance) P-C4' energy: -122.673
flat angles C4'-P-C4' energy: -104.850
flat angles P-C4'-P energy: -58.070
tors. eta vs tors. theta energy: -63.597
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: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -1171.159548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.159548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.159548 (E_RNA)
where:
Base-Base interactions energy: -784.276
where: short stacking energy: -345.976
Base-Backbone interact. energy: -1.286
local terms energy: -385.598021
where:
bonds (distance) C4'-P energy: -91.713
bonds (distance) P-C4' energy: -90.778
flat angles C4'-P-C4' energy: -94.163
flat angles P-C4'-P energy: -61.874
tors. eta vs tors. theta energy: -47.070
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: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2572.893696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.893696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.893696 (E_RNA)
where:
Base-Base interactions energy: -1839.960
where: short stacking energy: -764.650
Base-Backbone interact. energy: -4.225
local terms energy: -728.709555
where:
bonds (distance) C4'-P energy: -127.020
bonds (distance) P-C4' energy: -136.391
flat angles C4'-P-C4' energy: -159.672
flat angles P-C4'-P energy: -98.634
tors. eta vs tors. theta energy: -206.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2524.721266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.721266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.721266 (E_RNA)
where:
Base-Base interactions energy: -1769.643
where: short stacking energy: -748.764
Base-Backbone interact. energy: -3.536
local terms energy: -751.542297
where:
bonds (distance) C4'-P energy: -127.459
bonds (distance) P-C4' energy: -142.012
flat angles C4'-P-C4' energy: -160.192
flat angles P-C4'-P energy: -110.730
tors. eta vs tors. theta energy: -211.149
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: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2420.684526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2420.684526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2420.684526 (E_RNA)
where:
Base-Base interactions energy: -1673.608
where: short stacking energy: -720.167
Base-Backbone interact. energy: -2.528
local terms energy: -744.548482
where:
bonds (distance) C4'-P energy: -128.355
bonds (distance) P-C4' energy: -138.775
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -100.856
tors. eta vs tors. theta energy: -218.553
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: 6
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2363.125827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.125827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.125827 (E_RNA)
where:
Base-Base interactions energy: -1686.652
where: short stacking energy: -721.898
Base-Backbone interact. energy: 3.160
local terms energy: -679.634158
where:
bonds (distance) C4'-P energy: -111.725
bonds (distance) P-C4' energy: -137.135
flat angles C4'-P-C4' energy: -153.904
flat angles P-C4'-P energy: -93.416
tors. eta vs tors. theta energy: -183.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2266.770207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.770207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.770207 (E_RNA)
where:
Base-Base interactions energy: -1603.929
where: short stacking energy: -651.138
Base-Backbone interact. energy: -4.599
local terms energy: -658.241500
where:
bonds (distance) C4'-P energy: -117.516
bonds (distance) P-C4' energy: -119.313
flat angles C4'-P-C4' energy: -152.025
flat angles P-C4'-P energy: -83.521
tors. eta vs tors. theta energy: -185.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -2216.517065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.517065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.517065 (E_RNA)
where:
Base-Base interactions energy: -1565.424
where: short stacking energy: -657.143
Base-Backbone interact. energy: -0.399
local terms energy: -650.694151
where:
bonds (distance) C4'-P energy: -108.118
bonds (distance) P-C4' energy: -119.188
flat angles C4'-P-C4' energy: -148.967
flat angles P-C4'-P energy: -103.813
tors. eta vs tors. theta energy: -170.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -2028.140128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.140128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.140128 (E_RNA)
where:
Base-Base interactions energy: -1433.568
where: short stacking energy: -579.197
Base-Backbone interact. energy: 3.591
local terms energy: -598.162883
where:
bonds (distance) C4'-P energy: -102.424
bonds (distance) P-C4' energy: -124.887
flat angles C4'-P-C4' energy: -135.379
flat angles P-C4'-P energy: -81.225
tors. eta vs tors. theta energy: -154.248
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: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1569.960824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.960824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.960824 (E_RNA)
where:
Base-Base interactions energy: -1072.386
where: short stacking energy: -450.869
Base-Backbone interact. energy: 0.874
local terms energy: -498.448539
where:
bonds (distance) C4'-P energy: -119.402
bonds (distance) P-C4' energy: -119.255
flat angles C4'-P-C4' energy: -109.206
flat angles P-C4'-P energy: -71.533
tors. eta vs tors. theta energy: -79.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1302.948446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.948446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.948446 (E_RNA)
where:
Base-Base interactions energy: -802.836
where: short stacking energy: -399.400
Base-Backbone interact. energy: 0.785
local terms energy: -500.897538
where:
bonds (distance) C4'-P energy: -103.892
bonds (distance) P-C4' energy: -134.217
flat angles C4'-P-C4' energy: -117.167
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -74.001
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: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -1179.022879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.022879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.022879 (E_RNA)
where:
Base-Base interactions energy: -719.977
where: short stacking energy: -320.218
Base-Backbone interact. energy: -2.494
local terms energy: -456.552442
where:
bonds (distance) C4'-P energy: -120.517
bonds (distance) P-C4' energy: -122.586
flat angles C4'-P-C4' energy: -93.923
flat angles P-C4'-P energy: -74.449
tors. eta vs tors. theta energy: -45.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2583.115211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.115211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.115211 (E_RNA)
where:
Base-Base interactions energy: -1826.813
where: short stacking energy: -751.661
Base-Backbone interact. energy: -5.204
local terms energy: -751.098154
where:
bonds (distance) C4'-P energy: -127.861
bonds (distance) P-C4' energy: -142.722
flat angles C4'-P-C4' energy: -171.093
flat angles P-C4'-P energy: -109.380
tors. eta vs tors. theta energy: -200.043
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: 2, replica: 5
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2536.268722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.268722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.268722 (E_RNA)
where:
Base-Base interactions energy: -1781.904
where: short stacking energy: -768.126
Base-Backbone interact. energy: -0.474
local terms energy: -753.890146
where:
bonds (distance) C4'-P energy: -116.540
bonds (distance) P-C4' energy: -146.084
flat angles C4'-P-C4' energy: -159.436
flat angles P-C4'-P energy: -116.752
tors. eta vs tors. theta energy: -215.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2440.475096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.475096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.475096 (E_RNA)
where:
Base-Base interactions energy: -1732.323
where: short stacking energy: -756.940
Base-Backbone interact. energy: -1.486
local terms energy: -706.666376
where:
bonds (distance) C4'-P energy: -111.302
bonds (distance) P-C4' energy: -128.305
flat angles C4'-P-C4' energy: -151.137
flat angles P-C4'-P energy: -99.623
tors. eta vs tors. theta energy: -216.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2322.985966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.985966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.985966 (E_RNA)
where:
Base-Base interactions energy: -1673.443
where: short stacking energy: -668.830
Base-Backbone interact. energy: -0.814
local terms energy: -648.728915
where:
bonds (distance) C4'-P energy: -115.533
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -138.440
flat angles P-C4'-P energy: -67.415
tors. eta vs tors. theta energy: -194.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -2241.134461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.134461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.134461 (E_RNA)
where:
Base-Base interactions energy: -1587.615
where: short stacking energy: -654.062
Base-Backbone interact. energy: -6.592
local terms energy: -646.928066
where:
bonds (distance) C4'-P energy: -122.326
bonds (distance) P-C4' energy: -133.507
flat angles C4'-P-C4' energy: -146.292
flat angles P-C4'-P energy: -75.362
tors. eta vs tors. theta energy: -169.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -2175.923248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.923248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.923248 (E_RNA)
where:
Base-Base interactions energy: -1546.008
where: short stacking energy: -620.513
Base-Backbone interact. energy: -2.759
local terms energy: -627.155800
where:
bonds (distance) C4'-P energy: -107.121
bonds (distance) P-C4' energy: -120.845
flat angles C4'-P-C4' energy: -148.901
flat angles P-C4'-P energy: -83.077
tors. eta vs tors. theta energy: -167.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -2087.522618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.522618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.522618 (E_RNA)
where:
Base-Base interactions energy: -1475.678
where: short stacking energy: -622.175
Base-Backbone interact. energy: 0.606
local terms energy: -612.451026
where:
bonds (distance) C4'-P energy: -111.698
bonds (distance) P-C4' energy: -131.926
flat angles C4'-P-C4' energy: -132.105
flat angles P-C4'-P energy: -68.599
tors. eta vs tors. theta energy: -168.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1605.767881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.767881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.767881 (E_RNA)
where:
Base-Base interactions energy: -1085.942
where: short stacking energy: -472.122
Base-Backbone interact. energy: -1.187
local terms energy: -518.638571
where:
bonds (distance) C4'-P energy: -117.847
bonds (distance) P-C4' energy: -127.399
flat angles C4'-P-C4' energy: -118.489
flat angles P-C4'-P energy: -59.899
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: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1393.399933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.399933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.399933 (E_RNA)
where:
Base-Base interactions energy: -926.072
where: short stacking energy: -429.622
Base-Backbone interact. energy: -1.449
local terms energy: -465.879083
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -105.851
flat angles C4'-P-C4' energy: -101.914
flat angles P-C4'-P energy: -68.720
tors. eta vs tors. theta energy: -90.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -1144.525478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.525478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.525478 (E_RNA)
where:
Base-Base interactions energy: -721.672
where: short stacking energy: -350.539
Base-Backbone interact. energy: 2.539
local terms energy: -425.392800
where:
bonds (distance) C4'-P energy: -118.717
bonds (distance) P-C4' energy: -120.774
flat angles C4'-P-C4' energy: -87.594
flat angles P-C4'-P energy: -46.603
tors. eta vs tors. theta energy: -51.705
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: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2571.370216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.370216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.370216 (E_RNA)
where:
Base-Base interactions energy: -1821.714
where: short stacking energy: -719.203
Base-Backbone interact. energy: -3.640
local terms energy: -746.016665
where:
bonds (distance) C4'-P energy: -141.033
bonds (distance) P-C4' energy: -138.932
flat angles C4'-P-C4' energy: -164.351
flat angles P-C4'-P energy: -107.758
tors. eta vs tors. theta energy: -193.943
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: 2, replica: 5
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2521.287421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.287421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.287421 (E_RNA)
where:
Base-Base interactions energy: -1793.749
where: short stacking energy: -738.668
Base-Backbone interact. energy: -0.214
local terms energy: -727.324462
where:
bonds (distance) C4'-P energy: -134.416
bonds (distance) P-C4' energy: -128.682
flat angles C4'-P-C4' energy: -143.843
flat angles P-C4'-P energy: -112.980
tors. eta vs tors. theta energy: -207.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2412.646554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.646554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.646554 (E_RNA)
where:
Base-Base interactions energy: -1695.655
where: short stacking energy: -736.294
Base-Backbone interact. energy: 0.604
local terms energy: -717.595790
where:
bonds (distance) C4'-P energy: -129.676
bonds (distance) P-C4' energy: -125.575
flat angles C4'-P-C4' energy: -143.114
flat angles P-C4'-P energy: -102.092
tors. eta vs tors. theta energy: -217.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2337.490684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.490684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.490684 (E_RNA)
where:
Base-Base interactions energy: -1667.940
where: short stacking energy: -682.287
Base-Backbone interact. energy: -0.725
local terms energy: -668.825823
where:
bonds (distance) C4'-P energy: -124.745
bonds (distance) P-C4' energy: -125.897
flat angles C4'-P-C4' energy: -140.975
flat angles P-C4'-P energy: -93.162
tors. eta vs tors. theta energy: -184.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2264.185299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.185299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.185299 (E_RNA)
where:
Base-Base interactions energy: -1592.289
where: short stacking energy: -666.494
Base-Backbone interact. energy: -1.011
local terms energy: -670.884913
where:
bonds (distance) C4'-P energy: -116.679
bonds (distance) P-C4' energy: -143.904
flat angles C4'-P-C4' energy: -152.946
flat angles P-C4'-P energy: -87.720
tors. eta vs tors. theta energy: -169.636
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: 6, replica: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -2205.359046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.359046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.359046 (E_RNA)
where:
Base-Base interactions energy: -1553.484
where: short stacking energy: -648.850
Base-Backbone interact. energy: 0.686
local terms energy: -652.561128
where:
bonds (distance) C4'-P energy: -109.022
bonds (distance) P-C4' energy: -120.238
flat angles C4'-P-C4' energy: -140.167
flat angles P-C4'-P energy: -101.344
tors. eta vs tors. theta energy: -181.790
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: 3
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -2038.892743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.892743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.892743 (E_RNA)
where:
Base-Base interactions energy: -1455.723
where: short stacking energy: -611.679
Base-Backbone interact. energy: -1.604
local terms energy: -581.565821
where:
bonds (distance) C4'-P energy: -110.463
bonds (distance) P-C4' energy: -94.239
flat angles C4'-P-C4' energy: -141.004
flat angles P-C4'-P energy: -75.134
tors. eta vs tors. theta energy: -160.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1595.409420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.409420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.409420 (E_RNA)
where:
Base-Base interactions energy: -1056.764
where: short stacking energy: -437.290
Base-Backbone interact. energy: -3.366
local terms energy: -535.279494
where:
bonds (distance) C4'-P energy: -116.223
bonds (distance) P-C4' energy: -123.898
flat angles C4'-P-C4' energy: -128.979
flat angles P-C4'-P energy: -76.293
tors. eta vs tors. theta energy: -89.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1387.833095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.833095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.833095 (E_RNA)
where:
Base-Base interactions energy: -901.424
where: short stacking energy: -411.387
Base-Backbone interact. energy: -2.643
local terms energy: -483.766003
where:
bonds (distance) C4'-P energy: -110.042
bonds (distance) P-C4' energy: -123.959
flat angles C4'-P-C4' energy: -101.334
flat angles P-C4'-P energy: -71.386
tors. eta vs tors. theta energy: -77.045
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: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -1162.353539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.353539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.353539 (E_RNA)
where:
Base-Base interactions energy: -767.164
where: short stacking energy: -350.705
Base-Backbone interact. energy: 3.800
local terms energy: -398.989211
where:
bonds (distance) C4'-P energy: -91.377
bonds (distance) P-C4' energy: -107.658
flat angles C4'-P-C4' energy: -88.166
flat angles P-C4'-P energy: -59.189
tors. eta vs tors. theta energy: -52.598
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: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2576.112144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.112144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.112144 (E_RNA)
where:
Base-Base interactions energy: -1841.797
where: short stacking energy: -738.409
Base-Backbone interact. energy: 1.955
local terms energy: -736.270145
where:
bonds (distance) C4'-P energy: -134.369
bonds (distance) P-C4' energy: -142.201
flat angles C4'-P-C4' energy: -158.675
flat angles P-C4'-P energy: -103.269
tors. eta vs tors. theta energy: -197.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2543.625965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.625965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.625965 (E_RNA)
where:
Base-Base interactions energy: -1774.932
where: short stacking energy: -737.124
Base-Backbone interact. energy: -4.230
local terms energy: -764.463700
where:
bonds (distance) C4'-P energy: -148.177
bonds (distance) P-C4' energy: -129.078
flat angles C4'-P-C4' energy: -160.447
flat angles P-C4'-P energy: -115.889
tors. eta vs tors. theta energy: -210.872
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: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2402.633681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.633681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.633681 (E_RNA)
where:
Base-Base interactions energy: -1651.580
where: short stacking energy: -720.491
Base-Backbone interact. energy: -0.846
local terms energy: -750.207378
where:
bonds (distance) C4'-P energy: -126.454
bonds (distance) P-C4' energy: -139.315
flat angles C4'-P-C4' energy: -153.103
flat angles P-C4'-P energy: -111.261
tors. eta vs tors. theta energy: -220.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2360.930018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.930018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.930018 (E_RNA)
where:
Base-Base interactions energy: -1671.079
where: short stacking energy: -722.122
Base-Backbone interact. energy: -3.342
local terms energy: -686.509195
where:
bonds (distance) C4'-P energy: -112.105
bonds (distance) P-C4' energy: -127.622
flat angles C4'-P-C4' energy: -144.044
flat angles P-C4'-P energy: -100.712
tors. eta vs tors. theta energy: -202.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2211.825413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.825413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.825413 (E_RNA)
where:
Base-Base interactions energy: -1542.135
where: short stacking energy: -647.324
Base-Backbone interact. energy: -3.660
local terms energy: -666.030234
where:
bonds (distance) C4'-P energy: -120.711
bonds (distance) P-C4' energy: -126.291
flat angles C4'-P-C4' energy: -149.644
flat angles P-C4'-P energy: -99.012
tors. eta vs tors. theta energy: -170.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -2272.526183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.526183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.526183 (E_RNA)
where:
Base-Base interactions energy: -1624.369
where: short stacking energy: -693.727
Base-Backbone interact. energy: -2.504
local terms energy: -645.653652
where:
bonds (distance) C4'-P energy: -112.808
bonds (distance) P-C4' energy: -126.530
flat angles C4'-P-C4' energy: -134.802
flat angles P-C4'-P energy: -83.258
tors. eta vs tors. theta energy: -188.256
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: 3
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1987.775724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.775724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.775724 (E_RNA)
where:
Base-Base interactions energy: -1378.688
where: short stacking energy: -596.679
Base-Backbone interact. energy: -3.207
local terms energy: -605.880778
where:
bonds (distance) C4'-P energy: -125.322
bonds (distance) P-C4' energy: -116.393
flat angles C4'-P-C4' energy: -133.769
flat angles P-C4'-P energy: -68.038
tors. eta vs tors. theta energy: -162.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1646.482393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.482393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.482393 (E_RNA)
where:
Base-Base interactions energy: -1131.136
where: short stacking energy: -485.175
Base-Backbone interact. energy: 1.939
local terms energy: -517.285420
where:
bonds (distance) C4'-P energy: -100.581
bonds (distance) P-C4' energy: -110.055
flat angles C4'-P-C4' energy: -127.257
flat angles P-C4'-P energy: -66.549
tors. eta vs tors. theta energy: -112.844
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: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1360.275796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.275796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.275796 (E_RNA)
where:
Base-Base interactions energy: -884.040
where: short stacking energy: -423.384
Base-Backbone interact. energy: 1.965
local terms energy: -478.200770
where:
bonds (distance) C4'-P energy: -99.657
bonds (distance) P-C4' energy: -101.523
flat angles C4'-P-C4' energy: -120.614
flat angles P-C4'-P energy: -76.852
tors. eta vs tors. theta energy: -79.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -1196.831046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.831046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.831046 (E_RNA)
where:
Base-Base interactions energy: -768.192
where: short stacking energy: -346.856
Base-Backbone interact. energy: -0.625
local terms energy: -428.014858
where:
bonds (distance) C4'-P energy: -110.488
bonds (distance) P-C4' energy: -100.052
flat angles C4'-P-C4' energy: -86.505
flat angles P-C4'-P energy: -84.819
tors. eta vs tors. theta energy: -46.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2559.303856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.303856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.303856 (E_RNA)
where:
Base-Base interactions energy: -1829.133
where: short stacking energy: -735.363
Base-Backbone interact. energy: -2.465
local terms energy: -727.705683
where:
bonds (distance) C4'-P energy: -138.819
bonds (distance) P-C4' energy: -135.857
flat angles C4'-P-C4' energy: -165.315
flat angles P-C4'-P energy: -97.326
tors. eta vs tors. theta energy: -190.389
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: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2539.651549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.651549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.651549 (E_RNA)
where:
Base-Base interactions energy: -1780.339
where: short stacking energy: -781.776
Base-Backbone interact. energy: -2.464
local terms energy: -756.848429
where:
bonds (distance) C4'-P energy: -133.779
bonds (distance) P-C4' energy: -135.220
flat angles C4'-P-C4' energy: -158.206
flat angles P-C4'-P energy: -103.866
tors. eta vs tors. theta energy: -225.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2392.157503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.157503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.157503 (E_RNA)
where:
Base-Base interactions energy: -1651.121
where: short stacking energy: -730.878
Base-Backbone interact. energy: -0.784
local terms energy: -740.251874
where:
bonds (distance) C4'-P energy: -145.736
bonds (distance) P-C4' energy: -129.210
flat angles C4'-P-C4' energy: -146.772
flat angles P-C4'-P energy: -106.150
tors. eta vs tors. theta energy: -212.385
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2345.498491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.498491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.498491 (E_RNA)
where:
Base-Base interactions energy: -1632.712
where: short stacking energy: -692.758
Base-Backbone interact. energy: -2.333
local terms energy: -710.453224
where:
bonds (distance) C4'-P energy: -137.253
bonds (distance) P-C4' energy: -130.330
flat angles C4'-P-C4' energy: -153.616
flat angles P-C4'-P energy: -99.617
tors. eta vs tors. theta energy: -189.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2252.555304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.555304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.555304 (E_RNA)
where:
Base-Base interactions energy: -1587.624
where: short stacking energy: -654.803
Base-Backbone interact. energy: -1.247
local terms energy: -663.683935
where:
bonds (distance) C4'-P energy: -126.926
bonds (distance) P-C4' energy: -132.049
flat angles C4'-P-C4' energy: -137.248
flat angles P-C4'-P energy: -94.182
tors. eta vs tors. theta energy: -173.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -2220.813296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.813296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.813296 (E_RNA)
where:
Base-Base interactions energy: -1586.287
where: short stacking energy: -654.801
Base-Backbone interact. energy: -4.935
local terms energy: -629.591099
where:
bonds (distance) C4'-P energy: -127.149
bonds (distance) P-C4' energy: -94.342
flat angles C4'-P-C4' energy: -143.530
flat angles P-C4'-P energy: -81.265
tors. eta vs tors. theta energy: -183.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1944.898772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.898772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.898772 (E_RNA)
where:
Base-Base interactions energy: -1353.569
where: short stacking energy: -548.115
Base-Backbone interact. energy: 0.374
local terms energy: -591.703330
where:
bonds (distance) C4'-P energy: -115.119
bonds (distance) P-C4' energy: -105.780
flat angles C4'-P-C4' energy: -140.757
flat angles P-C4'-P energy: -90.004
tors. eta vs tors. theta energy: -140.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1564.729927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.729927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.729927 (E_RNA)
where:
Base-Base interactions energy: -1057.750
where: short stacking energy: -449.633
Base-Backbone interact. energy: -1.508
local terms energy: -505.472294
where:
bonds (distance) C4'-P energy: -87.615
bonds (distance) P-C4' energy: -130.388
flat angles C4'-P-C4' energy: -113.707
flat angles P-C4'-P energy: -84.558
tors. eta vs tors. theta energy: -89.203
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: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1336.885231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.885231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.885231 (E_RNA)
where:
Base-Base interactions energy: -856.159
where: short stacking energy: -422.304
Base-Backbone interact. energy: 2.888
local terms energy: -483.613793
where:
bonds (distance) C4'-P energy: -106.995
bonds (distance) P-C4' energy: -119.280
flat angles C4'-P-C4' energy: -108.864
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -75.048
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: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -1264.012689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.012689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.012689 (E_RNA)
where:
Base-Base interactions energy: -811.884
where: short stacking energy: -375.774
Base-Backbone interact. energy: -1.077
local terms energy: -451.051804
where:
bonds (distance) C4'-P energy: -88.685
bonds (distance) P-C4' energy: -138.366
flat angles C4'-P-C4' energy: -94.965
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: -57.523
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: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2568.531485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.531485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.531485 (E_RNA)
where:
Base-Base interactions energy: -1817.762
where: short stacking energy: -726.690
Base-Backbone interact. energy: -1.757
local terms energy: -749.012808
where:
bonds (distance) C4'-P energy: -137.514
bonds (distance) P-C4' energy: -144.428
flat angles C4'-P-C4' energy: -162.255
flat angles P-C4'-P energy: -104.584
tors. eta vs tors. theta energy: -200.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2510.813716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.813716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.813716 (E_RNA)
where:
Base-Base interactions energy: -1776.333
where: short stacking energy: -752.200
Base-Backbone interact. energy: -0.507
local terms energy: -733.973495
where:
bonds (distance) C4'-P energy: -128.632
bonds (distance) P-C4' energy: -144.344
flat angles C4'-P-C4' energy: -155.182
flat angles P-C4'-P energy: -90.446
tors. eta vs tors. theta energy: -215.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -2395.601925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.601925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.601925 (E_RNA)
where:
Base-Base interactions energy: -1684.823
where: short stacking energy: -733.473
Base-Backbone interact. energy: -1.401
local terms energy: -709.377605
where:
bonds (distance) C4'-P energy: -126.380
bonds (distance) P-C4' energy: -126.617
flat angles C4'-P-C4' energy: -146.341
flat angles P-C4'-P energy: -95.620
tors. eta vs tors. theta energy: -214.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -2331.503964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.503964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.503964 (E_RNA)
where:
Base-Base interactions energy: -1630.463
where: short stacking energy: -705.078
Base-Backbone interact. energy: 5.090
local terms energy: -706.131154
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -123.350
flat angles C4'-P-C4' energy: -151.185
flat angles P-C4'-P energy: -100.642
tors. eta vs tors. theta energy: -201.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2240.688901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.688901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.688901 (E_RNA)
where:
Base-Base interactions energy: -1593.187
where: short stacking energy: -665.462
Base-Backbone interact. energy: -3.042
local terms energy: -644.460126
where:
bonds (distance) C4'-P energy: -109.597
bonds (distance) P-C4' energy: -117.591
flat angles C4'-P-C4' energy: -134.732
flat angles P-C4'-P energy: -97.280
tors. eta vs tors. theta energy: -185.259
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: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -2225.023334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.023334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.023334 (E_RNA)
where:
Base-Base interactions energy: -1565.851
where: short stacking energy: -632.866
Base-Backbone interact. energy: -2.445
local terms energy: -656.727101
where:
bonds (distance) C4'-P energy: -117.492
bonds (distance) P-C4' energy: -136.143
flat angles C4'-P-C4' energy: -140.250
flat angles P-C4'-P energy: -87.683
tors. eta vs tors. theta energy: -175.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1964.603056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.603056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.603056 (E_RNA)
where:
Base-Base interactions energy: -1344.125
where: short stacking energy: -582.283
Base-Backbone interact. energy: -0.404
local terms energy: -620.074542
where:
bonds (distance) C4'-P energy: -112.030
bonds (distance) P-C4' energy: -120.146
flat angles C4'-P-C4' energy: -158.609
flat angles P-C4'-P energy: -85.318
tors. eta vs tors. theta energy: -143.972
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: 1
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1606.407904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.407904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.407904 (E_RNA)
where:
Base-Base interactions energy: -1083.863
where: short stacking energy: -474.622
Base-Backbone interact. energy: -0.823
local terms energy: -521.722335
where:
bonds (distance) C4'-P energy: -94.536
bonds (distance) P-C4' energy: -121.209
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -77.587
tors. eta vs tors. theta energy: -108.970
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: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1364.386507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.386507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.386507 (E_RNA)
where:
Base-Base interactions energy: -877.761
where: short stacking energy: -382.422
Base-Backbone interact. energy: -1.439
local terms energy: -485.187038
where:
bonds (distance) C4'-P energy: -123.839
bonds (distance) P-C4' energy: -104.038
flat angles C4'-P-C4' energy: -110.181
flat angles P-C4'-P energy: -86.908
tors. eta vs tors. theta energy: -60.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -1238.761977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.761977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.761977 (E_RNA)
where:
Base-Base interactions energy: -808.113
where: short stacking energy: -375.432
Base-Backbone interact. energy: 1.451
local terms energy: -432.099877
where:
bonds (distance) C4'-P energy: -104.107
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -119.371
flat angles P-C4'-P energy: -50.871
tors. eta vs tors. theta energy: -59.338
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: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2583.625009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.625009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.625009 (E_RNA)
where:
Base-Base interactions energy: -1836.343
where: short stacking energy: -762.165
Base-Backbone interact. energy: -3.340
local terms energy: -743.941429
where:
bonds (distance) C4'-P energy: -131.249
bonds (distance) P-C4' energy: -145.424
flat angles C4'-P-C4' energy: -157.278
flat angles P-C4'-P energy: -102.117
tors. eta vs tors. theta energy: -207.875
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: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2534.608111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.608111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.608111 (E_RNA)
where:
Base-Base interactions energy: -1764.096
where: short stacking energy: -753.415
Base-Backbone interact. energy: -3.372
local terms energy: -767.140016
where:
bonds (distance) C4'-P energy: -154.983
bonds (distance) P-C4' energy: -121.771
flat angles C4'-P-C4' energy: -148.572
flat angles P-C4'-P energy: -114.384
tors. eta vs tors. theta energy: -227.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2422.559113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.559113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.559113 (E_RNA)
where:
Base-Base interactions energy: -1708.506
where: short stacking energy: -733.959
Base-Backbone interact. energy: 0.509
local terms energy: -714.562773
where:
bonds (distance) C4'-P energy: -117.463
bonds (distance) P-C4' energy: -135.915
flat angles C4'-P-C4' energy: -156.504
flat angles P-C4'-P energy: -100.049
tors. eta vs tors. theta energy: -204.633
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: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2352.167742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.167742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.167742 (E_RNA)
where:
Base-Base interactions energy: -1630.759
where: short stacking energy: -699.606
Base-Backbone interact. energy: -3.659
local terms energy: -717.749865
where:
bonds (distance) C4'-P energy: -132.316
bonds (distance) P-C4' energy: -126.995
flat angles C4'-P-C4' energy: -150.395
flat angles P-C4'-P energy: -107.853
tors. eta vs tors. theta energy: -200.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2236.956189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.956189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.956189 (E_RNA)
where:
Base-Base interactions energy: -1587.878
where: short stacking energy: -655.434
Base-Backbone interact. energy: 0.952
local terms energy: -650.030372
where:
bonds (distance) C4'-P energy: -114.284
bonds (distance) P-C4' energy: -120.400
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -94.224
tors. eta vs tors. theta energy: -189.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -2234.893311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.893311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.893311 (E_RNA)
where:
Base-Base interactions energy: -1574.452
where: short stacking energy: -659.606
Base-Backbone interact. energy: -3.907
local terms energy: -656.533867
where:
bonds (distance) C4'-P energy: -116.859
bonds (distance) P-C4' energy: -120.469
flat angles C4'-P-C4' energy: -142.294
flat angles P-C4'-P energy: -97.796
tors. eta vs tors. theta energy: -179.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1977.962897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.962897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.962897 (E_RNA)
where:
Base-Base interactions energy: -1388.519
where: short stacking energy: -588.201
Base-Backbone interact. energy: -2.572
local terms energy: -586.872013
where:
bonds (distance) C4'-P energy: -104.403
bonds (distance) P-C4' energy: -116.489
flat angles C4'-P-C4' energy: -122.672
flat angles P-C4'-P energy: -92.156
tors. eta vs tors. theta energy: -151.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1685.648616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.648616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.648616 (E_RNA)
where:
Base-Base interactions energy: -1145.802
where: short stacking energy: -494.341
Base-Backbone interact. energy: 2.436
local terms energy: -542.282549
where:
bonds (distance) C4'-P energy: -107.134
bonds (distance) P-C4' energy: -129.401
flat angles C4'-P-C4' energy: -121.305
flat angles P-C4'-P energy: -81.345
tors. eta vs tors. theta energy: -103.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1421.992919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.992919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.992919 (E_RNA)
where:
Base-Base interactions energy: -922.340
where: short stacking energy: -415.846
Base-Backbone interact. energy: -0.566
local terms energy: -499.086864
where:
bonds (distance) C4'-P energy: -113.388
bonds (distance) P-C4' energy: -115.167
flat angles C4'-P-C4' energy: -119.045
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -79.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -1236.512734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.512734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.512734 (E_RNA)
where:
Base-Base interactions energy: -784.808
where: short stacking energy: -354.666
Base-Backbone interact. energy: 6.085
local terms energy: -457.789620
where:
bonds (distance) C4'-P energy: -116.244
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -111.679
flat angles P-C4'-P energy: -59.358
tors. eta vs tors. theta energy: -64.417
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: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2598.668598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.668598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.668598 (E_RNA)
where:
Base-Base interactions energy: -1836.931
where: short stacking energy: -763.481
Base-Backbone interact. energy: -3.406
local terms energy: -758.331854
where:
bonds (distance) C4'-P energy: -126.521
bonds (distance) P-C4' energy: -146.340
flat angles C4'-P-C4' energy: -173.496
flat angles P-C4'-P energy: -114.785
tors. eta vs tors. theta energy: -197.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2542.934398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.934398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.934398 (E_RNA)
where:
Base-Base interactions energy: -1811.459
where: short stacking energy: -757.073
Base-Backbone interact. energy: -0.633
local terms energy: -730.842194
where:
bonds (distance) C4'-P energy: -124.679
bonds (distance) P-C4' energy: -117.754
flat angles C4'-P-C4' energy: -165.131
flat angles P-C4'-P energy: -102.312
tors. eta vs tors. theta energy: -220.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2435.138328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.138328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.138328 (E_RNA)
where:
Base-Base interactions energy: -1696.573
where: short stacking energy: -761.941
Base-Backbone interact. energy: 0.968
local terms energy: -739.533712
where:
bonds (distance) C4'-P energy: -134.786
bonds (distance) P-C4' energy: -143.102
flat angles C4'-P-C4' energy: -149.664
flat angles P-C4'-P energy: -89.873
tors. eta vs tors. theta energy: -222.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2353.622922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.622922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.622922 (E_RNA)
where:
Base-Base interactions energy: -1676.484
where: short stacking energy: -697.314
Base-Backbone interact. energy: -3.687
local terms energy: -673.451991
where:
bonds (distance) C4'-P energy: -129.621
bonds (distance) P-C4' energy: -123.539
flat angles C4'-P-C4' energy: -144.558
flat angles P-C4'-P energy: -84.027
tors. eta vs tors. theta energy: -191.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2254.931934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2254.931934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2254.931934 (E_RNA)
where:
Base-Base interactions energy: -1604.803
where: short stacking energy: -664.992
Base-Backbone interact. energy: 1.040
local terms energy: -651.169023
where:
bonds (distance) C4'-P energy: -100.020
bonds (distance) P-C4' energy: -123.879
flat angles C4'-P-C4' energy: -146.930
flat angles P-C4'-P energy: -95.255
tors. eta vs tors. theta energy: -185.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -2162.419636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.419636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.419636 (E_RNA)
where:
Base-Base interactions energy: -1507.590
where: short stacking energy: -628.362
Base-Backbone interact. energy: -2.399
local terms energy: -652.429998
where:
bonds (distance) C4'-P energy: -123.334
bonds (distance) P-C4' energy: -116.504
flat angles C4'-P-C4' energy: -148.002
flat angles P-C4'-P energy: -93.152
tors. eta vs tors. theta energy: -171.437
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: 3
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1897.704061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.704061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.704061 (E_RNA)
where:
Base-Base interactions energy: -1339.534
where: short stacking energy: -532.051
Base-Backbone interact. energy: -1.585
local terms energy: -556.584916
where:
bonds (distance) C4'-P energy: -103.854
bonds (distance) P-C4' energy: -116.291
flat angles C4'-P-C4' energy: -130.312
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -129.722
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: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1605.285983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.285983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.285983 (E_RNA)
where:
Base-Base interactions energy: -1093.277
where: short stacking energy: -464.761
Base-Backbone interact. energy: -2.786
local terms energy: -509.223813
where:
bonds (distance) C4'-P energy: -110.629
bonds (distance) P-C4' energy: -111.142
flat angles C4'-P-C4' energy: -120.543
flat angles P-C4'-P energy: -78.059
tors. eta vs tors. theta energy: -88.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1373.855267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.855267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.855267 (E_RNA)
where:
Base-Base interactions energy: -904.310
where: short stacking energy: -389.775
Base-Backbone interact. energy: -2.627
local terms energy: -466.918576
where:
bonds (distance) C4'-P energy: -102.430
bonds (distance) P-C4' energy: -122.563
flat angles C4'-P-C4' energy: -99.075
flat angles P-C4'-P energy: -60.140
tors. eta vs tors. theta energy: -82.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -1185.208437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.208437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.208437 (E_RNA)
where:
Base-Base interactions energy: -791.523
where: short stacking energy: -355.144
Base-Backbone interact. energy: 0.659
local terms energy: -394.344943
where:
bonds (distance) C4'-P energy: -107.876
bonds (distance) P-C4' energy: -86.859
flat angles C4'-P-C4' energy: -91.720
flat angles P-C4'-P energy: -67.852
tors. eta vs tors. theta energy: -40.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2601.730745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.730745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.730745 (E_RNA)
where:
Base-Base interactions energy: -1844.623
where: short stacking energy: -756.287
Base-Backbone interact. energy: -3.268
local terms energy: -753.839901
where:
bonds (distance) C4'-P energy: -133.008
bonds (distance) P-C4' energy: -141.126
flat angles C4'-P-C4' energy: -168.688
flat angles P-C4'-P energy: -111.456
tors. eta vs tors. theta energy: -199.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2548.585512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.585512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.585512 (E_RNA)
where:
Base-Base interactions energy: -1784.110
where: short stacking energy: -766.222
Base-Backbone interact. energy: -2.919
local terms energy: -761.556840
where:
bonds (distance) C4'-P energy: -132.479
bonds (distance) P-C4' energy: -132.816
flat angles C4'-P-C4' energy: -155.306
flat angles P-C4'-P energy: -115.788
tors. eta vs tors. theta energy: -225.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2459.040397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.040397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.040397 (E_RNA)
where:
Base-Base interactions energy: -1699.264
where: short stacking energy: -738.988
Base-Backbone interact. energy: -1.858
local terms energy: -757.918136
where:
bonds (distance) C4'-P energy: -125.364
bonds (distance) P-C4' energy: -134.393
flat angles C4'-P-C4' energy: -156.701
flat angles P-C4'-P energy: -112.930
tors. eta vs tors. theta energy: -228.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2330.139922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.139922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.139922 (E_RNA)
where:
Base-Base interactions energy: -1630.201
where: short stacking energy: -673.196
Base-Backbone interact. energy: -3.813
local terms energy: -696.126350
where:
bonds (distance) C4'-P energy: -138.459
bonds (distance) P-C4' energy: -136.691
flat angles C4'-P-C4' energy: -148.653
flat angles P-C4'-P energy: -89.626
tors. eta vs tors. theta energy: -182.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -2298.265315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.265315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.265315 (E_RNA)
where:
Base-Base interactions energy: -1600.031
where: short stacking energy: -655.641
Base-Backbone interact. energy: -3.504
local terms energy: -694.729814
where:
bonds (distance) C4'-P energy: -138.983
bonds (distance) P-C4' energy: -120.315
flat angles C4'-P-C4' energy: -156.085
flat angles P-C4'-P energy: -90.203
tors. eta vs tors. theta energy: -189.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -2151.810597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.810597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.810597 (E_RNA)
where:
Base-Base interactions energy: -1509.483
where: short stacking energy: -641.679
Base-Backbone interact. energy: -1.369
local terms energy: -640.959406
where:
bonds (distance) C4'-P energy: -107.743
bonds (distance) P-C4' energy: -120.358
flat angles C4'-P-C4' energy: -145.646
flat angles P-C4'-P energy: -90.714
tors. eta vs tors. theta energy: -176.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1893.450267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.450267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.450267 (E_RNA)
where:
Base-Base interactions energy: -1335.461
where: short stacking energy: -557.238
Base-Backbone interact. energy: 0.343
local terms energy: -558.332427
where:
bonds (distance) C4'-P energy: -98.394
bonds (distance) P-C4' energy: -116.854
flat angles C4'-P-C4' energy: -135.347
flat angles P-C4'-P energy: -70.839
tors. eta vs tors. theta energy: -136.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1607.572355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.572355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.572355 (E_RNA)
where:
Base-Base interactions energy: -1105.146
where: short stacking energy: -467.247
Base-Backbone interact. energy: 4.202
local terms energy: -506.628178
where:
bonds (distance) C4'-P energy: -116.714
bonds (distance) P-C4' energy: -113.055
flat angles C4'-P-C4' energy: -116.385
flat angles P-C4'-P energy: -75.392
tors. eta vs tors. theta energy: -85.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1372.934530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.934530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.934530 (E_RNA)
where:
Base-Base interactions energy: -869.552
where: short stacking energy: -417.732
Base-Backbone interact. energy: 6.827
local terms energy: -510.210232
where:
bonds (distance) C4'-P energy: -108.437
bonds (distance) P-C4' energy: -114.730
flat angles C4'-P-C4' energy: -122.143
flat angles P-C4'-P energy: -82.222
tors. eta vs tors. theta energy: -82.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -1192.415423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.415423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.415423 (E_RNA)
where:
Base-Base interactions energy: -779.310
where: short stacking energy: -374.622
Base-Backbone interact. energy: -0.627
local terms energy: -412.477532
where:
bonds (distance) C4'-P energy: -88.386
bonds (distance) P-C4' energy: -96.442
flat angles C4'-P-C4' energy: -115.428
flat angles P-C4'-P energy: -52.500
tors. eta vs tors. theta energy: -59.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2552.707513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.707513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.707513 (E_RNA)
where:
Base-Base interactions energy: -1799.217
where: short stacking energy: -754.169
Base-Backbone interact. energy: 5.098
local terms energy: -758.589105
where:
bonds (distance) C4'-P energy: -145.210
bonds (distance) P-C4' energy: -146.178
flat angles C4'-P-C4' energy: -160.746
flat angles P-C4'-P energy: -98.030
tors. eta vs tors. theta energy: -208.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2551.955472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.955472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.955472 (E_RNA)
where:
Base-Base interactions energy: -1793.176
where: short stacking energy: -765.948
Base-Backbone interact. energy: -0.438
local terms energy: -758.341278
where:
bonds (distance) C4'-P energy: -135.995
bonds (distance) P-C4' energy: -128.462
flat angles C4'-P-C4' energy: -161.936
flat angles P-C4'-P energy: -103.834
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: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2435.442359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.442359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.442359 (E_RNA)
where:
Base-Base interactions energy: -1687.086
where: short stacking energy: -726.750
Base-Backbone interact. energy: -2.962
local terms energy: -745.394125
where:
bonds (distance) C4'-P energy: -127.868
bonds (distance) P-C4' energy: -129.729
flat angles C4'-P-C4' energy: -156.784
flat angles P-C4'-P energy: -112.137
tors. eta vs tors. theta energy: -218.876
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: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2364.088513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.088513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.088513 (E_RNA)
where:
Base-Base interactions energy: -1686.230
where: short stacking energy: -714.931
Base-Backbone interact. energy: 7.069
local terms energy: -684.927912
where:
bonds (distance) C4'-P energy: -126.667
bonds (distance) P-C4' energy: -110.651
flat angles C4'-P-C4' energy: -143.004
flat angles P-C4'-P energy: -100.579
tors. eta vs tors. theta energy: -204.027
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: 2
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2279.011042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.011042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.011042 (E_RNA)
where:
Base-Base interactions energy: -1603.063
where: short stacking energy: -684.630
Base-Backbone interact. energy: -0.500
local terms energy: -675.448279
where:
bonds (distance) C4'-P energy: -120.858
bonds (distance) P-C4' energy: -127.095
flat angles C4'-P-C4' energy: -132.716
flat angles P-C4'-P energy: -104.001
tors. eta vs tors. theta energy: -190.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -2211.417694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.417694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.417694 (E_RNA)
where:
Base-Base interactions energy: -1556.547
where: short stacking energy: -639.433
Base-Backbone interact. energy: -3.372
local terms energy: -651.498890
where:
bonds (distance) C4'-P energy: -129.779
bonds (distance) P-C4' energy: -129.333
flat angles C4'-P-C4' energy: -138.087
flat angles P-C4'-P energy: -98.089
tors. eta vs tors. theta energy: -156.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1956.217765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.217765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.217765 (E_RNA)
where:
Base-Base interactions energy: -1387.762
where: short stacking energy: -566.368
Base-Backbone interact. energy: 0.372
local terms energy: -568.827327
where:
bonds (distance) C4'-P energy: -106.126
bonds (distance) P-C4' energy: -122.702
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -88.634
tors. eta vs tors. theta energy: -129.059
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: 495
Temperature: 1.250000
Total energy: -1559.340042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.340042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.340042 (E_RNA)
where:
Base-Base interactions energy: -1057.462
where: short stacking energy: -460.105
Base-Backbone interact. energy: 1.686
local terms energy: -503.563605
where:
bonds (distance) C4'-P energy: -107.698
bonds (distance) P-C4' energy: -110.342
flat angles C4'-P-C4' energy: -115.700
flat angles P-C4'-P energy: -83.135
tors. eta vs tors. theta energy: -86.688
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: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1354.411257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.411257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.411257 (E_RNA)
where:
Base-Base interactions energy: -896.918
where: short stacking energy: -395.119
Base-Backbone interact. energy: -3.512
local terms energy: -453.980815
where:
bonds (distance) C4'-P energy: -99.879
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -112.421
flat angles P-C4'-P energy: -74.849
tors. eta vs tors. theta energy: -71.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -1262.744215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.744215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.744215 (E_RNA)
where:
Base-Base interactions energy: -807.565
where: short stacking energy: -365.437
Base-Backbone interact. energy: -4.189
local terms energy: -450.990598
where:
bonds (distance) C4'-P energy: -107.289
bonds (distance) P-C4' energy: -114.341
flat angles C4'-P-C4' energy: -97.302
flat angles P-C4'-P energy: -80.768
tors. eta vs tors. theta energy: -51.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2584.549627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.549627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.549627 (E_RNA)
where:
Base-Base interactions energy: -1793.673
where: short stacking energy: -752.228
Base-Backbone interact. energy: -3.163
local terms energy: -787.713594
where:
bonds (distance) C4'-P energy: -140.047
bonds (distance) P-C4' energy: -145.394
flat angles C4'-P-C4' energy: -167.800
flat angles P-C4'-P energy: -110.829
tors. eta vs tors. theta energy: -223.644
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: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2514.471547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.471547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.471547 (E_RNA)
where:
Base-Base interactions energy: -1748.362
where: short stacking energy: -729.368
Base-Backbone interact. energy: -3.421
local terms energy: -762.687681
where:
bonds (distance) C4'-P energy: -137.016
bonds (distance) P-C4' energy: -149.984
flat angles C4'-P-C4' energy: -162.894
flat angles P-C4'-P energy: -108.789
tors. eta vs tors. theta energy: -204.004
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: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2434.120617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.120617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.120617 (E_RNA)
where:
Base-Base interactions energy: -1696.182
where: short stacking energy: -723.172
Base-Backbone interact. energy: -0.982
local terms energy: -736.955962
where:
bonds (distance) C4'-P energy: -127.165
bonds (distance) P-C4' energy: -133.834
flat angles C4'-P-C4' energy: -149.644
flat angles P-C4'-P energy: -101.905
tors. eta vs tors. theta energy: -224.408
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: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2362.755714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.755714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.755714 (E_RNA)
where:
Base-Base interactions energy: -1667.257
where: short stacking energy: -693.796
Base-Backbone interact. energy: 1.617
local terms energy: -697.115886
where:
bonds (distance) C4'-P energy: -128.225
bonds (distance) P-C4' energy: -121.728
flat angles C4'-P-C4' energy: -157.203
flat angles P-C4'-P energy: -97.401
tors. eta vs tors. theta energy: -192.559
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: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2282.312173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.312173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.312173 (E_RNA)
where:
Base-Base interactions energy: -1622.109
where: short stacking energy: -649.282
Base-Backbone interact. energy: -0.285
local terms energy: -659.918993
where:
bonds (distance) C4'-P energy: -125.783
bonds (distance) P-C4' energy: -108.440
flat angles C4'-P-C4' energy: -147.086
flat angles P-C4'-P energy: -101.550
tors. eta vs tors. theta energy: -177.061
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: 2
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -2172.806373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.806373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.806373 (E_RNA)
where:
Base-Base interactions energy: -1549.328
where: short stacking energy: -645.197
Base-Backbone interact. energy: -3.063
local terms energy: -620.415654
where:
bonds (distance) C4'-P energy: -109.050
bonds (distance) P-C4' energy: -115.659
flat angles C4'-P-C4' energy: -134.044
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -175.563
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: 3
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1978.411525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.411525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.411525 (E_RNA)
where:
Base-Base interactions energy: -1358.412
where: short stacking energy: -555.456
Base-Backbone interact. energy: -2.575
local terms energy: -617.424283
where:
bonds (distance) C4'-P energy: -117.349
bonds (distance) P-C4' energy: -129.880
flat angles C4'-P-C4' energy: -129.579
flat angles P-C4'-P energy: -81.498
tors. eta vs tors. theta energy: -159.119
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: 1
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1551.666944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.666944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.666944 (E_RNA)
where:
Base-Base interactions energy: -1050.946
where: short stacking energy: -449.509
Base-Backbone interact. energy: -0.096
local terms energy: -500.624979
where:
bonds (distance) C4'-P energy: -106.581
bonds (distance) P-C4' energy: -113.280
flat angles C4'-P-C4' energy: -120.374
flat angles P-C4'-P energy: -76.594
tors. eta vs tors. theta energy: -83.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1389.819510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.819510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.819510 (E_RNA)
where:
Base-Base interactions energy: -924.749
where: short stacking energy: -402.938
Base-Backbone interact. energy: -2.452
local terms energy: -462.618661
where:
bonds (distance) C4'-P energy: -121.762
bonds (distance) P-C4' energy: -116.753
flat angles C4'-P-C4' energy: -91.930
flat angles P-C4'-P energy: -57.238
tors. eta vs tors. theta energy: -74.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -1198.484491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.484491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.484491 (E_RNA)
where:
Base-Base interactions energy: -762.774
where: short stacking energy: -347.490
Base-Backbone interact. energy: 2.240
local terms energy: -437.950750
where:
bonds (distance) C4'-P energy: -109.092
bonds (distance) P-C4' energy: -132.552
flat angles C4'-P-C4' energy: -107.100
flat angles P-C4'-P energy: -55.374
tors. eta vs tors. theta energy: -33.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2604.999379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.999379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.999379 (E_RNA)
where:
Base-Base interactions energy: -1830.918
where: short stacking energy: -791.514
Base-Backbone interact. energy: -3.628
local terms energy: -770.453487
where:
bonds (distance) C4'-P energy: -143.923
bonds (distance) P-C4' energy: -146.353
flat angles C4'-P-C4' energy: -161.728
flat angles P-C4'-P energy: -91.471
tors. eta vs tors. theta energy: -226.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2536.393874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.393874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.393874 (E_RNA)
where:
Base-Base interactions energy: -1800.999
where: short stacking energy: -769.106
Base-Backbone interact. energy: -3.031
local terms energy: -732.364732
where:
bonds (distance) C4'-P energy: -129.842
bonds (distance) P-C4' energy: -135.759
flat angles C4'-P-C4' energy: -158.405
flat angles P-C4'-P energy: -107.794
tors. eta vs tors. theta energy: -200.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -2490.303060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.303060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.303060 (E_RNA)
where:
Base-Base interactions energy: -1726.708
where: short stacking energy: -760.996
Base-Backbone interact. energy: -1.810
local terms energy: -761.784794
where:
bonds (distance) C4'-P energy: -135.861
bonds (distance) P-C4' energy: -137.072
flat angles C4'-P-C4' energy: -157.609
flat angles P-C4'-P energy: -101.289
tors. eta vs tors. theta energy: -229.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2319.035879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.035879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.035879 (E_RNA)
where:
Base-Base interactions energy: -1641.641
where: short stacking energy: -688.566
Base-Backbone interact. energy: 6.132
local terms energy: -683.527049
where:
bonds (distance) C4'-P energy: -126.654
bonds (distance) P-C4' energy: -123.926
flat angles C4'-P-C4' energy: -151.385
flat angles P-C4'-P energy: -96.302
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: 6
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -2323.034497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.034497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.034497 (E_RNA)
where:
Base-Base interactions energy: -1666.212
where: short stacking energy: -713.433
Base-Backbone interact. energy: 0.116
local terms energy: -656.939156
where:
bonds (distance) C4'-P energy: -122.992
bonds (distance) P-C4' energy: -128.577
flat angles C4'-P-C4' energy: -138.690
flat angles P-C4'-P energy: -76.489
tors. eta vs tors. theta energy: -190.190
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: 6, replica: 2
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -2155.320809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.320809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.320809 (E_RNA)
where:
Base-Base interactions energy: -1514.669
where: short stacking energy: -634.330
Base-Backbone interact. energy: -2.764
local terms energy: -637.887417
where:
bonds (distance) C4'-P energy: -129.280
bonds (distance) P-C4' energy: -108.079
flat angles C4'-P-C4' energy: -143.205
flat angles P-C4'-P energy: -88.250
tors. eta vs tors. theta energy: -169.072
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: 7, replica: 3
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1972.562850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.562850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.562850 (E_RNA)
where:
Base-Base interactions energy: -1399.291
where: short stacking energy: -595.835
Base-Backbone interact. energy: -2.498
local terms energy: -570.773806
where:
bonds (distance) C4'-P energy: -110.698
bonds (distance) P-C4' energy: -110.614
flat angles C4'-P-C4' energy: -138.668
flat angles P-C4'-P energy: -74.132
tors. eta vs tors. theta energy: -136.662
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1545.756848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.756848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.756848 (E_RNA)
where:
Base-Base interactions energy: -1024.974
where: short stacking energy: -432.085
Base-Backbone interact. energy: 3.116
local terms energy: -523.899206
where:
bonds (distance) C4'-P energy: -122.708
bonds (distance) P-C4' energy: -120.673
flat angles C4'-P-C4' energy: -118.328
flat angles P-C4'-P energy: -87.009
tors. eta vs tors. theta energy: -75.182
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: 9, replica: 4
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1359.219652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.219652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.219652 (E_RNA)
where:
Base-Base interactions energy: -904.807
where: short stacking energy: -403.120
Base-Backbone interact. energy: 1.969
local terms energy: -456.381818
where:
bonds (distance) C4'-P energy: -105.767
bonds (distance) P-C4' energy: -92.005
flat angles C4'-P-C4' energy: -123.647
flat angles P-C4'-P energy: -66.912
tors. eta vs tors. theta energy: -68.050
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: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -1238.627434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.627434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.627434 (E_RNA)
where:
Base-Base interactions energy: -781.256
where: short stacking energy: -377.357
Base-Backbone interact. energy: 2.124
local terms energy: -459.495376
where:
bonds (distance) C4'-P energy: -104.441
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -99.045
flat angles P-C4'-P energy: -62.891
tors. eta vs tors. theta energy: -71.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2604.715937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.715937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.715937 (E_RNA)
where:
Base-Base interactions energy: -1833.964
where: short stacking energy: -774.685
Base-Backbone interact. energy: -2.348
local terms energy: -768.403493
where:
bonds (distance) C4'-P energy: -125.720
bonds (distance) P-C4' energy: -143.228
flat angles C4'-P-C4' energy: -168.830
flat angles P-C4'-P energy: -109.378
tors. eta vs tors. theta energy: -221.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2520.336312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2520.336312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2520.336312 (E_RNA)
where:
Base-Base interactions energy: -1798.591
where: short stacking energy: -735.031
Base-Backbone interact. energy: -2.667
local terms energy: -719.078391
where:
bonds (distance) C4'-P energy: -130.104
bonds (distance) P-C4' energy: -126.777
flat angles C4'-P-C4' energy: -164.216
flat angles P-C4'-P energy: -102.235
tors. eta vs tors. theta energy: -195.745
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: 10
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2497.821450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.821450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.821450 (E_RNA)
where:
Base-Base interactions energy: -1742.974
where: short stacking energy: -753.443
Base-Backbone interact. energy: -3.051
local terms energy: -751.796953
where:
bonds (distance) C4'-P energy: -131.030
bonds (distance) P-C4' energy: -123.090
flat angles C4'-P-C4' energy: -163.706
flat angles P-C4'-P energy: -107.370
tors. eta vs tors. theta energy: -226.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2306.129775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.129775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.129775 (E_RNA)
where:
Base-Base interactions energy: -1616.062
where: short stacking energy: -666.370
Base-Backbone interact. energy: -3.369
local terms energy: -686.698849
where:
bonds (distance) C4'-P energy: -128.123
bonds (distance) P-C4' energy: -117.582
flat angles C4'-P-C4' energy: -149.028
flat angles P-C4'-P energy: -104.686
tors. eta vs tors. theta energy: -187.281
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: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2277.179142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.179142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.179142 (E_RNA)
where:
Base-Base interactions energy: -1621.239
where: short stacking energy: -665.175
Base-Backbone interact. energy: 5.353
local terms energy: -661.292595
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -127.725
flat angles C4'-P-C4' energy: -130.347
flat angles P-C4'-P energy: -96.982
tors. eta vs tors. theta energy: -178.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -2132.588213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.588213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.588213 (E_RNA)
where:
Base-Base interactions energy: -1517.530
where: short stacking energy: -655.658
Base-Backbone interact. energy: -4.477
local terms energy: -610.581155
where:
bonds (distance) C4'-P energy: -116.983
bonds (distance) P-C4' energy: -119.719
flat angles C4'-P-C4' energy: -123.526
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -173.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1959.269684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.269684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.269684 (E_RNA)
where:
Base-Base interactions energy: -1367.586
where: short stacking energy: -587.407
Base-Backbone interact. energy: -1.196
local terms energy: -590.488183
where:
bonds (distance) C4'-P energy: -123.174
bonds (distance) P-C4' energy: -105.865
flat angles C4'-P-C4' energy: -132.850
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -146.780
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: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1612.300839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.300839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.300839 (E_RNA)
where:
Base-Base interactions energy: -1086.502
where: short stacking energy: -472.959
Base-Backbone interact. energy: -1.782
local terms energy: -524.017201
where:
bonds (distance) C4'-P energy: -119.054
bonds (distance) P-C4' energy: -113.746
flat angles C4'-P-C4' energy: -132.458
flat angles P-C4'-P energy: -61.463
tors. eta vs tors. theta energy: -97.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1380.109606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.109606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.109606 (E_RNA)
where:
Base-Base interactions energy: -898.862
where: short stacking energy: -382.206
Base-Backbone interact. energy: 0.431
local terms energy: -481.678973
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -95.666
flat angles C4'-P-C4' energy: -104.243
flat angles P-C4'-P energy: -82.477
tors. eta vs tors. theta energy: -73.861
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: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -1136.511825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.511825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.511825 (E_RNA)
where:
Base-Base interactions energy: -742.784
where: short stacking energy: -356.479
Base-Backbone interact. energy: 5.384
local terms energy: -399.111446
where:
bonds (distance) C4'-P energy: -85.071
bonds (distance) P-C4' energy: -90.809
flat angles C4'-P-C4' energy: -104.725
flat angles P-C4'-P energy: -66.151
tors. eta vs tors. theta energy: -52.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2595.749867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.749867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.749867 (E_RNA)
where:
Base-Base interactions energy: -1822.982
where: short stacking energy: -756.834
Base-Backbone interact. energy: -2.772
local terms energy: -769.996772
where:
bonds (distance) C4'-P energy: -129.276
bonds (distance) P-C4' energy: -145.912
flat angles C4'-P-C4' energy: -156.573
flat angles P-C4'-P energy: -107.778
tors. eta vs tors. theta energy: -230.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2521.630440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.630440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.630440 (E_RNA)
where:
Base-Base interactions energy: -1731.027
where: short stacking energy: -759.535
Base-Backbone interact. energy: -2.385
local terms energy: -788.218140
where:
bonds (distance) C4'-P energy: -136.140
bonds (distance) P-C4' energy: -135.217
flat angles C4'-P-C4' energy: -163.995
flat angles P-C4'-P energy: -115.705
tors. eta vs tors. theta energy: -237.162
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: 3, replica: 7
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2465.078850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.078850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.078850 (E_RNA)
where:
Base-Base interactions energy: -1750.123
where: short stacking energy: -717.112
Base-Backbone interact. energy: -0.205
local terms energy: -714.751059
where:
bonds (distance) C4'-P energy: -131.280
bonds (distance) P-C4' energy: -129.125
flat angles C4'-P-C4' energy: -160.263
flat angles P-C4'-P energy: -104.163
tors. eta vs tors. theta energy: -189.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2317.261422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.261422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.261422 (E_RNA)
where:
Base-Base interactions energy: -1632.929
where: short stacking energy: -695.252
Base-Backbone interact. energy: 0.335
local terms energy: -684.667884
where:
bonds (distance) C4'-P energy: -97.303
bonds (distance) P-C4' energy: -146.062
flat angles C4'-P-C4' energy: -146.519
flat angles P-C4'-P energy: -95.476
tors. eta vs tors. theta energy: -199.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2301.611288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.611288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.611288 (E_RNA)
where:
Base-Base interactions energy: -1629.205
where: short stacking energy: -659.215
Base-Backbone interact. energy: 1.397
local terms energy: -673.803265
where:
bonds (distance) C4'-P energy: -135.112
bonds (distance) P-C4' energy: -123.462
flat angles C4'-P-C4' energy: -138.032
flat angles P-C4'-P energy: -104.793
tors. eta vs tors. theta energy: -172.404
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: 2
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -2135.712912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.712912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.712912 (E_RNA)
where:
Base-Base interactions energy: -1506.599
where: short stacking energy: -626.517
Base-Backbone interact. energy: 3.152
local terms energy: -632.266106
where:
bonds (distance) C4'-P energy: -113.209
bonds (distance) P-C4' energy: -117.612
flat angles C4'-P-C4' energy: -141.414
flat angles P-C4'-P energy: -97.872
tors. eta vs tors. theta energy: -162.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -2004.936633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.936633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.936633 (E_RNA)
where:
Base-Base interactions energy: -1394.495
where: short stacking energy: -577.538
Base-Backbone interact. energy: -1.862
local terms energy: -608.580079
where:
bonds (distance) C4'-P energy: -125.067
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -131.453
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -143.013
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: 1
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1619.516192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.516192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.516192 (E_RNA)
where:
Base-Base interactions energy: -1109.090
where: short stacking energy: -485.133
Base-Backbone interact. energy: -1.878
local terms energy: -508.547628
where:
bonds (distance) C4'-P energy: -116.661
bonds (distance) P-C4' energy: -112.523
flat angles C4'-P-C4' energy: -117.549
flat angles P-C4'-P energy: -70.846
tors. eta vs tors. theta energy: -90.968
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: 4
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1426.584952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.584952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.584952 (E_RNA)
where:
Base-Base interactions energy: -964.524
where: short stacking energy: -427.365
Base-Backbone interact. energy: 3.228
local terms energy: -465.288184
where:
bonds (distance) C4'-P energy: -98.598
bonds (distance) P-C4' energy: -114.434
flat angles C4'-P-C4' energy: -124.190
flat angles P-C4'-P energy: -57.254
tors. eta vs tors. theta energy: -70.811
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: 8
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -1235.867643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.867643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.867643 (E_RNA)
where:
Base-Base interactions energy: -803.804
where: short stacking energy: -336.178
Base-Backbone interact. energy: -1.404
local terms energy: -430.659985
where:
bonds (distance) C4'-P energy: -98.258
bonds (distance) P-C4' energy: -115.801
flat angles C4'-P-C4' energy: -119.066
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: -51.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2589.911186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.911186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.911186 (E_RNA)
where:
Base-Base interactions energy: -1818.995
where: short stacking energy: -776.888
Base-Backbone interact. energy: -5.381
local terms energy: -765.535391
where:
bonds (distance) C4'-P energy: -129.556
bonds (distance) P-C4' energy: -144.798
flat angles C4'-P-C4' energy: -152.654
flat angles P-C4'-P energy: -113.739
tors. eta vs tors. theta energy: -224.788
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: 10
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2493.878756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.878756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.878756 (E_RNA)
where:
Base-Base interactions energy: -1730.574
where: short stacking energy: -754.711
Base-Backbone interact. energy: -2.895
local terms energy: -760.409403
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -144.077
flat angles C4'-P-C4' energy: -160.074
flat angles P-C4'-P energy: -108.626
tors. eta vs tors. theta energy: -230.736
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: 7
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2490.774568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.774568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.774568 (E_RNA)
where:
Base-Base interactions energy: -1746.757
where: short stacking energy: -697.012
Base-Backbone interact. energy: -1.699
local terms energy: -742.318263
where:
bonds (distance) C4'-P energy: -128.189
bonds (distance) P-C4' energy: -142.702
flat angles C4'-P-C4' energy: -162.653
flat angles P-C4'-P energy: -111.821
tors. eta vs tors. theta energy: -196.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2306.095097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.095097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.095097 (E_RNA)
where:
Base-Base interactions energy: -1621.218
where: short stacking energy: -686.565
Base-Backbone interact. energy: -3.659
local terms energy: -681.218979
where:
bonds (distance) C4'-P energy: -114.285
bonds (distance) P-C4' energy: -135.982
flat angles C4'-P-C4' energy: -155.389
flat angles P-C4'-P energy: -85.234
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: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2276.386099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.386099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.386099 (E_RNA)
where:
Base-Base interactions energy: -1635.400
where: short stacking energy: -690.870
Base-Backbone interact. energy: -2.791
local terms energy: -638.194699
where:
bonds (distance) C4'-P energy: -110.397
bonds (distance) P-C4' energy: -119.181
flat angles C4'-P-C4' energy: -142.748
flat angles P-C4'-P energy: -83.128
tors. eta vs tors. theta energy: -182.741
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: 2
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -2178.881993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.881993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.881993 (E_RNA)
where:
Base-Base interactions energy: -1573.918
where: short stacking energy: -662.412
Base-Backbone interact. energy: -1.837
local terms energy: -603.126597
where:
bonds (distance) C4'-P energy: -118.841
bonds (distance) P-C4' energy: -112.393
flat angles C4'-P-C4' energy: -122.838
flat angles P-C4'-P energy: -79.348
tors. eta vs tors. theta energy: -169.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1965.831566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.831566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.831566 (E_RNA)
where:
Base-Base interactions energy: -1358.190
where: short stacking energy: -587.308
Base-Backbone interact. energy: 2.253
local terms energy: -609.894726
where:
bonds (distance) C4'-P energy: -116.772
bonds (distance) P-C4' energy: -109.461
flat angles C4'-P-C4' energy: -143.038
flat angles P-C4'-P energy: -101.138
tors. eta vs tors. theta energy: -139.486
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: 1
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1543.779947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.779947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.779947 (E_RNA)
where:
Base-Base interactions energy: -1041.856
where: short stacking energy: -455.441
Base-Backbone interact. energy: -1.280
local terms energy: -500.643953
where:
bonds (distance) C4'-P energy: -115.700
bonds (distance) P-C4' energy: -112.194
flat angles C4'-P-C4' energy: -112.020
flat angles P-C4'-P energy: -82.764
tors. eta vs tors. theta energy: -77.966
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: 4
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1429.179857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.179857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.179857 (E_RNA)
where:
Base-Base interactions energy: -947.043
where: short stacking energy: -406.140
Base-Backbone interact. energy: 4.721
local terms energy: -486.857740
where:
bonds (distance) C4'-P energy: -110.714
bonds (distance) P-C4' energy: -130.239
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -68.974
tors. eta vs tors. theta energy: -75.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -1236.631331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.631331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.631331 (E_RNA)
where:
Base-Base interactions energy: -821.701
where: short stacking energy: -372.930
Base-Backbone interact. energy: 3.230
local terms energy: -418.160169
where:
bonds (distance) C4'-P energy: -102.366
bonds (distance) P-C4' energy: -106.753
flat angles C4'-P-C4' energy: -117.395
flat angles P-C4'-P energy: -60.336
tors. eta vs tors. theta energy: -31.310
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: 5
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2587.439929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.439929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.439929 (E_RNA)
where:
Base-Base interactions energy: -1807.520
where: short stacking energy: -775.186
Base-Backbone interact. energy: -2.197
local terms energy: -777.722995
where:
bonds (distance) C4'-P energy: -134.054
bonds (distance) P-C4' energy: -152.906
flat angles C4'-P-C4' energy: -165.435
flat angles P-C4'-P energy: -102.582
tors. eta vs tors. theta energy: -222.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2529.337590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.337590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.337590 (E_RNA)
where:
Base-Base interactions energy: -1758.215
where: short stacking energy: -748.102
Base-Backbone interact. energy: -1.915
local terms energy: -769.207727
where:
bonds (distance) C4'-P energy: -132.648
bonds (distance) P-C4' energy: -149.438
flat angles C4'-P-C4' energy: -161.285
flat angles P-C4'-P energy: -91.385
tors. eta vs tors. theta energy: -234.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2462.358042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.358042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.358042 (E_RNA)
where:
Base-Base interactions energy: -1738.641
where: short stacking energy: -708.583
Base-Backbone interact. energy: -3.599
local terms energy: -720.118783
where:
bonds (distance) C4'-P energy: -133.724
bonds (distance) P-C4' energy: -135.267
flat angles C4'-P-C4' energy: -141.197
flat angles P-C4'-P energy: -110.654
tors. eta vs tors. theta energy: -199.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2360.622171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.622171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.622171 (E_RNA)
where:
Base-Base interactions energy: -1671.578
where: short stacking energy: -719.995
Base-Backbone interact. energy: -2.237
local terms energy: -686.807282
where:
bonds (distance) C4'-P energy: -124.824
bonds (distance) P-C4' energy: -112.431
flat angles C4'-P-C4' energy: -142.788
flat angles P-C4'-P energy: -110.172
tors. eta vs tors. theta energy: -196.592
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: 501
Temperature: 1.100000
Total energy: -2268.144001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.144001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.144001 (E_RNA)
where:
Base-Base interactions energy: -1587.132
where: short stacking energy: -672.367
Base-Backbone interact. energy: -0.374
local terms energy: -680.637982
where:
bonds (distance) C4'-P energy: -119.706
bonds (distance) P-C4' energy: -133.995
flat angles C4'-P-C4' energy: -143.083
flat angles P-C4'-P energy: -98.854
tors. eta vs tors. theta energy: -185.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -2258.838423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.838423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.838423 (E_RNA)
where:
Base-Base interactions energy: -1609.177
where: short stacking energy: -665.309
Base-Backbone interact. energy: -3.400
local terms energy: -646.261050
where:
bonds (distance) C4'-P energy: -124.032
bonds (distance) P-C4' energy: -119.485
flat angles C4'-P-C4' energy: -129.200
flat angles P-C4'-P energy: -91.981
tors. eta vs tors. theta energy: -181.563
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: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1945.708606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.708606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.708606 (E_RNA)
where:
Base-Base interactions energy: -1365.137
where: short stacking energy: -599.227
Base-Backbone interact. energy: -2.563
local terms energy: -578.008571
where:
bonds (distance) C4'-P energy: -120.401
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -132.218
flat angles P-C4'-P energy: -79.726
tors. eta vs tors. theta energy: -147.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1566.582396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.582396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.582396 (E_RNA)
where:
Base-Base interactions energy: -1063.092
where: short stacking energy: -485.713
Base-Backbone interact. energy: 7.032
local terms energy: -510.522660
where:
bonds (distance) C4'-P energy: -88.377
bonds (distance) P-C4' energy: -125.632
flat angles C4'-P-C4' energy: -124.213
flat angles P-C4'-P energy: -88.276
tors. eta vs tors. theta energy: -84.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1492.974910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.974910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.974910 (E_RNA)
where:
Base-Base interactions energy: -982.571
where: short stacking energy: -431.501
Base-Backbone interact. energy: 1.263
local terms energy: -511.666980
where:
bonds (distance) C4'-P energy: -88.144
bonds (distance) P-C4' energy: -125.605
flat angles C4'-P-C4' energy: -133.202
flat angles P-C4'-P energy: -86.345
tors. eta vs tors. theta energy: -78.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -1205.157364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.157364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.157364 (E_RNA)
where:
Base-Base interactions energy: -769.786
where: short stacking energy: -354.910
Base-Backbone interact. energy: -2.081
local terms energy: -433.290192
where:
bonds (distance) C4'-P energy: -96.835
bonds (distance) P-C4' energy: -108.492
flat angles C4'-P-C4' energy: -125.657
flat angles P-C4'-P energy: -62.133
tors. eta vs tors. theta energy: -40.173
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)
replica 5 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 106707384
moves confirmed later: 116415909
all moves confirmed: 223123293
percent of confirmed moves: 27.890412
current total energy: -2560.086591
recalc. total energy: -2560.086591
replica 10 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 130229982
moves confirmed later: 147597487
all moves confirmed: 277827469
percent of confirmed moves: 34.728434
current total energy: -2404.002874
recalc. total energy: -2404.002874
replica 7 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 99712865
moves confirmed later: 107782715
all moves confirmed: 207495580
percent of confirmed moves: 25.936947
current total energy: -2313.967095
recalc. total energy: -2313.967095
replica 6 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 145230048
moves confirmed later: 167081859
all moves confirmed: 312311907
percent of confirmed moves: 39.038988
current total energy: -2222.056254
recalc. total energy: -2222.056254
replica 9 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 150069643
moves confirmed later: 172269141
all moves confirmed: 322338784
percent of confirmed moves: 40.292348
current total energy: -2056.767706
recalc. total energy: -2056.767706
replica 2 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 107866770
moves confirmed later: 117922879
all moves confirmed: 225789649
percent of confirmed moves: 28.223706
current total energy: -2025.367820
recalc. total energy: -2025.367820
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 113922464
moves confirmed later: 126165440
all moves confirmed: 240087904
percent of confirmed moves: 30.010988
current total energy: -1763.323551
recalc. total energy: -1763.323551
replica 1 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 189308436
moves confirmed later: 224225170
all moves confirmed: 413533606
percent of confirmed moves: 51.691701
current total energy: -1370.542014
recalc. total energy: -1370.542014
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 162301946
moves confirmed later: 188355424
all moves confirmed: 350657370
percent of confirmed moves: 43.832171
current total energy: -1262.675584
recalc. total energy: -1262.675584
replica 8 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 221471474
moves confirmed later: 267193304
all moves confirmed: 488664778
percent of confirmed moves: 61.083097
current total energy: -1032.295131
recalc. total energy: -1032.295131
out arg RESULTS//1/RNAOncologyprotenix_-12f85d73_01
Time of doing 8000000 iterations: 52428.552 seconds