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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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/Tetraloop_10_steps-4c09b64c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Tetraloop_10_steps-4c09b64c/inputs/seq.fa: 1
curr_seq: _aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: aaguguuucaauuguggcaaagaagggcacauagccaaaaauUGCAGGGCCCCUAGGaaaaagggcuguuggaaauguggaaaggaaggacaccaaaugaaagauuguacugagagacaggcuaauuuuuuagggaagaucuggccuucccacaagggaaggccagggaauuuucuucagagcagaccagagccaacagccc
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 202 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: 1015
n_atoms_counter: 1015
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 202.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 1600000
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: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -819.984466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.984466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.984466 (E_RNA)
where:
Base-Base interactions energy: -33.756
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.000
local terms energy: -786.227866
where:
bonds (distance) C4'-P energy: -196.259
bonds (distance) P-C4' energy: -181.614
flat angles C4'-P-C4' energy: -148.313
flat angles P-C4'-P energy: -169.655
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1009.038950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.038950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.038950 (E_RNA)
where:
Base-Base interactions energy: -412.000
where: short stacking energy: -411.599
Base-Backbone interact. energy: 0.368
local terms energy: -597.407749
where:
bonds (distance) C4'-P energy: -126.606
bonds (distance) P-C4' energy: -135.433
flat angles C4'-P-C4' energy: -142.446
flat angles P-C4'-P energy: -87.233
tors. eta vs tors. theta energy: -105.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -972.044782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.044782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.044782 (E_RNA)
where:
Base-Base interactions energy: -401.779
where: short stacking energy: -389.242
Base-Backbone interact. energy: -0.350
local terms energy: -569.915159
where:
bonds (distance) C4'-P energy: -129.061
bonds (distance) P-C4' energy: -130.689
flat angles C4'-P-C4' energy: -130.282
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -90.123
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -886.963473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.963473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.963473 (E_RNA)
where:
Base-Base interactions energy: -373.906
where: short stacking energy: -365.961
Base-Backbone interact. energy: 0.902
local terms energy: -513.960134
where:
bonds (distance) C4'-P energy: -119.955
bonds (distance) P-C4' energy: -131.392
flat angles C4'-P-C4' energy: -120.734
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -78.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -821.990039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.990039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.990039 (E_RNA)
where:
Base-Base interactions energy: -38.262
where: short stacking energy: -38.262
Base-Backbone interact. energy: -0.000
local terms energy: -783.728135
where:
bonds (distance) C4'-P energy: -194.880
bonds (distance) P-C4' energy: -179.803
flat angles C4'-P-C4' energy: -148.400
flat angles P-C4'-P energy: -169.461
tors. eta vs tors. theta energy: -91.183
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: 2
Temperature: 1.100000
Total energy: -828.720165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.720165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.720165 (E_RNA)
where:
Base-Base interactions energy: -84.622
where: short stacking energy: -84.622
Base-Backbone interact. energy: -0.000
local terms energy: -744.097517
where:
bonds (distance) C4'-P energy: -171.346
bonds (distance) P-C4' energy: -158.877
flat angles C4'-P-C4' energy: -152.746
flat angles P-C4'-P energy: -161.867
tors. eta vs tors. theta energy: -99.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -825.589836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.589836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.589836 (E_RNA)
where:
Base-Base interactions energy: -65.663
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.000
local terms energy: -759.926173
where:
bonds (distance) C4'-P energy: -182.408
bonds (distance) P-C4' energy: -163.750
flat angles C4'-P-C4' energy: -151.876
flat angles P-C4'-P energy: -166.741
tors. eta vs tors. theta energy: -95.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -831.382363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.382363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.382363 (E_RNA)
where:
Base-Base interactions energy: -83.225
where: short stacking energy: -83.225
Base-Backbone interact. energy: -0.000
local terms energy: -748.156712
where:
bonds (distance) C4'-P energy: -174.356
bonds (distance) P-C4' energy: -162.631
flat angles C4'-P-C4' energy: -152.229
flat angles P-C4'-P energy: -162.276
tors. eta vs tors. theta energy: -96.664
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -821.276599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.276599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.276599 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -38.472
Base-Backbone interact. energy: -0.000
local terms energy: -782.804160
where:
bonds (distance) C4'-P energy: -194.376
bonds (distance) P-C4' energy: -179.803
flat angles C4'-P-C4' energy: -148.135
flat angles P-C4'-P energy: -169.347
tors. eta vs tors. theta energy: -91.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -823.306272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.306272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.306272 (E_RNA)
where:
Base-Base interactions energy: -91.106
where: short stacking energy: -91.106
Base-Backbone interact. energy: -0.000
local terms energy: -732.199559
where:
bonds (distance) C4'-P energy: -174.510
bonds (distance) P-C4' energy: -145.302
flat angles C4'-P-C4' energy: -152.503
flat angles P-C4'-P energy: -161.289
tors. eta vs tors. theta energy: -98.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -823.119992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.119992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.119992 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -38.999
Base-Backbone interact. energy: -0.000
local terms energy: -784.121128
where:
bonds (distance) C4'-P energy: -195.733
bonds (distance) P-C4' energy: -180.064
flat angles C4'-P-C4' energy: -148.099
flat angles P-C4'-P energy: -169.355
tors. eta vs tors. theta energy: -90.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1032.411519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.411519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.411519 (E_RNA)
where:
Base-Base interactions energy: -464.261
where: short stacking energy: -454.504
Base-Backbone interact. energy: -1.056
local terms energy: -567.095300
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -131.901
flat angles C4'-P-C4' energy: -131.539
flat angles P-C4'-P energy: -89.204
tors. eta vs tors. theta energy: -104.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -974.093218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.093218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.093218 (E_RNA)
where:
Base-Base interactions energy: -425.709
where: short stacking energy: -419.077
Base-Backbone interact. energy: -0.389
local terms energy: -547.994438
where:
bonds (distance) C4'-P energy: -110.109
bonds (distance) P-C4' energy: -119.117
flat angles C4'-P-C4' energy: -131.720
flat angles P-C4'-P energy: -84.769
tors. eta vs tors. theta energy: -102.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -890.257181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.257181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.257181 (E_RNA)
where:
Base-Base interactions energy: -370.704
where: short stacking energy: -332.470
Base-Backbone interact. energy: -0.092
local terms energy: -519.461681
where:
bonds (distance) C4'-P energy: -122.882
bonds (distance) P-C4' energy: -126.829
flat angles C4'-P-C4' energy: -122.216
flat angles P-C4'-P energy: -77.016
tors. eta vs tors. theta energy: -70.519
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -822.664436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.664436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.664436 (E_RNA)
where:
Base-Base interactions energy: -365.612
where: short stacking energy: -309.689
Base-Backbone interact. energy: -0.773
local terms energy: -456.279300
where:
bonds (distance) C4'-P energy: -111.625
bonds (distance) P-C4' energy: -119.274
flat angles C4'-P-C4' energy: -110.881
flat angles P-C4'-P energy: -65.479
tors. eta vs tors. theta energy: -49.020
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -776.396122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.396122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.396122 (E_RNA)
where:
Base-Base interactions energy: -300.535
where: short stacking energy: -263.963
Base-Backbone interact. energy: -0.486
local terms energy: -475.375743
where:
bonds (distance) C4'-P energy: -105.116
bonds (distance) P-C4' energy: -124.998
flat angles C4'-P-C4' energy: -119.946
flat angles P-C4'-P energy: -74.372
tors. eta vs tors. theta energy: -50.944
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: 3
Temperature: 1.150000
Total energy: -731.675219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.675219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.675219 (E_RNA)
where:
Base-Base interactions energy: -292.399
where: short stacking energy: -272.011
Base-Backbone interact. energy: 0.936
local terms energy: -440.212287
where:
bonds (distance) C4'-P energy: -110.795
bonds (distance) P-C4' energy: -111.168
flat angles C4'-P-C4' energy: -108.139
flat angles P-C4'-P energy: -61.979
tors. eta vs tors. theta energy: -48.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -624.569969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.569969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.569969 (E_RNA)
where:
Base-Base interactions energy: -223.762
where: short stacking energy: -213.743
Base-Backbone interact. energy: 2.626
local terms energy: -403.434592
where:
bonds (distance) C4'-P energy: -113.557
bonds (distance) P-C4' energy: -117.688
flat angles C4'-P-C4' energy: -97.906
flat angles P-C4'-P energy: -52.533
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -562.418243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.418243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.418243 (E_RNA)
where:
Base-Base interactions energy: -215.359
where: short stacking energy: -188.575
Base-Backbone interact. energy: 4.717
local terms energy: -351.776216
where:
bonds (distance) C4'-P energy: -108.192
bonds (distance) P-C4' energy: -108.756
flat angles C4'-P-C4' energy: -75.284
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -509.891206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.891206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.891206 (E_RNA)
where:
Base-Base interactions energy: -181.784
where: short stacking energy: -154.779
Base-Backbone interact. energy: 9.578
local terms energy: -337.685789
where:
bonds (distance) C4'-P energy: -118.632
bonds (distance) P-C4' energy: -105.288
flat angles C4'-P-C4' energy: -84.553
flat angles P-C4'-P energy: -40.446
tors. eta vs tors. theta energy: 11.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -482.365395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.365395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.365395 (E_RNA)
where:
Base-Base interactions energy: -147.914
where: short stacking energy: -128.778
Base-Backbone interact. energy: 0.211
local terms energy: -334.661547
where:
bonds (distance) C4'-P energy: -109.231
bonds (distance) P-C4' energy: -100.632
flat angles C4'-P-C4' energy: -103.521
flat angles P-C4'-P energy: -39.337
tors. eta vs tors. theta energy: 18.058
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: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1084.772214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.772214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.772214 (E_RNA)
where:
Base-Base interactions energy: -475.699
where: short stacking energy: -461.481
Base-Backbone interact. energy: -0.167
local terms energy: -608.906195
where:
bonds (distance) C4'-P energy: -133.219
bonds (distance) P-C4' energy: -118.904
flat angles C4'-P-C4' energy: -138.301
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -129.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -990.779854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.779854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.779854 (E_RNA)
where:
Base-Base interactions energy: -431.302
where: short stacking energy: -389.035
Base-Backbone interact. energy: -1.674
local terms energy: -557.803776
where:
bonds (distance) C4'-P energy: -128.319
bonds (distance) P-C4' energy: -139.578
flat angles C4'-P-C4' energy: -125.042
flat angles P-C4'-P energy: -82.479
tors. eta vs tors. theta energy: -82.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -948.673392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.673392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.673392 (E_RNA)
where:
Base-Base interactions energy: -434.559
where: short stacking energy: -388.070
Base-Backbone interact. energy: -1.351
local terms energy: -512.763331
where:
bonds (distance) C4'-P energy: -113.201
bonds (distance) P-C4' energy: -119.097
flat angles C4'-P-C4' energy: -126.124
flat angles P-C4'-P energy: -57.178
tors. eta vs tors. theta energy: -97.164
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -831.400992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.400992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.400992 (E_RNA)
where:
Base-Base interactions energy: -378.598
where: short stacking energy: -250.473
Base-Backbone interact. energy: -1.216
local terms energy: -451.586812
where:
bonds (distance) C4'-P energy: -116.717
bonds (distance) P-C4' energy: -115.570
flat angles C4'-P-C4' energy: -115.548
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -27.321
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: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -786.789094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.789094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.789094 (E_RNA)
where:
Base-Base interactions energy: -325.228
where: short stacking energy: -256.326
Base-Backbone interact. energy: -1.342
local terms energy: -460.218800
where:
bonds (distance) C4'-P energy: -114.320
bonds (distance) P-C4' energy: -134.931
flat angles C4'-P-C4' energy: -105.219
flat angles P-C4'-P energy: -72.592
tors. eta vs tors. theta energy: -33.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -744.047623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.047623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.047623 (E_RNA)
where:
Base-Base interactions energy: -330.171
where: short stacking energy: -248.209
Base-Backbone interact. energy: 6.377
local terms energy: -420.252956
where:
bonds (distance) C4'-P energy: -126.605
bonds (distance) P-C4' energy: -111.862
flat angles C4'-P-C4' energy: -107.827
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -16.587
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: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -668.046944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.046944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.046944 (E_RNA)
where:
Base-Base interactions energy: -258.707
where: short stacking energy: -220.690
Base-Backbone interact. energy: 5.623
local terms energy: -414.962976
where:
bonds (distance) C4'-P energy: -111.679
bonds (distance) P-C4' energy: -107.624
flat angles C4'-P-C4' energy: -119.103
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: -18.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -588.708326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.708326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.708326 (E_RNA)
where:
Base-Base interactions energy: -222.792
where: short stacking energy: -196.809
Base-Backbone interact. energy: 8.762
local terms energy: -374.679086
where:
bonds (distance) C4'-P energy: -117.866
bonds (distance) P-C4' energy: -88.112
flat angles C4'-P-C4' energy: -101.010
flat angles P-C4'-P energy: -61.609
tors. eta vs tors. theta energy: -6.081
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -571.454855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.454855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.454855 (E_RNA)
where:
Base-Base interactions energy: -240.822
where: short stacking energy: -181.797
Base-Backbone interact. energy: -4.358
local terms energy: -326.275207
where:
bonds (distance) C4'-P energy: -90.557
bonds (distance) P-C4' energy: -91.569
flat angles C4'-P-C4' energy: -100.239
flat angles P-C4'-P energy: -51.463
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -514.669490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.669490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.669490 (E_RNA)
where:
Base-Base interactions energy: -198.954
where: short stacking energy: -156.462
Base-Backbone interact. energy: 0.961
local terms energy: -316.677047
where:
bonds (distance) C4'-P energy: -90.426
bonds (distance) P-C4' energy: -104.781
flat angles C4'-P-C4' energy: -70.546
flat angles P-C4'-P energy: -52.736
tors. eta vs tors. theta energy: 1.811
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1090.406203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.406203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.406203 (E_RNA)
where:
Base-Base interactions energy: -498.852
where: short stacking energy: -465.283
Base-Backbone interact. energy: -1.160
local terms energy: -590.393425
where:
bonds (distance) C4'-P energy: -126.051
bonds (distance) P-C4' energy: -130.322
flat angles C4'-P-C4' energy: -112.578
flat angles P-C4'-P energy: -91.467
tors. eta vs tors. theta energy: -129.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1011.358403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.358403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.358403 (E_RNA)
where:
Base-Base interactions energy: -468.212
where: short stacking energy: -405.089
Base-Backbone interact. energy: 0.865
local terms energy: -544.010841
where:
bonds (distance) C4'-P energy: -107.495
bonds (distance) P-C4' energy: -133.007
flat angles C4'-P-C4' energy: -133.100
flat angles P-C4'-P energy: -79.197
tors. eta vs tors. theta energy: -91.211
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: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -931.217744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.217744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.217744 (E_RNA)
where:
Base-Base interactions energy: -410.017
where: short stacking energy: -374.500
Base-Backbone interact. energy: 0.081
local terms energy: -521.281681
where:
bonds (distance) C4'-P energy: -104.479
bonds (distance) P-C4' energy: -125.773
flat angles C4'-P-C4' energy: -131.204
flat angles P-C4'-P energy: -76.268
tors. eta vs tors. theta energy: -83.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -840.926913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.926913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.926913 (E_RNA)
where:
Base-Base interactions energy: -387.816
where: short stacking energy: -304.297
Base-Backbone interact. energy: -4.136
local terms energy: -448.974936
where:
bonds (distance) C4'-P energy: -106.382
bonds (distance) P-C4' energy: -125.945
flat angles C4'-P-C4' energy: -109.759
flat angles P-C4'-P energy: -62.306
tors. eta vs tors. theta energy: -44.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -861.870840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.870840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.870840 (E_RNA)
where:
Base-Base interactions energy: -440.921
where: short stacking energy: -301.788
Base-Backbone interact. energy: 0.947
local terms energy: -421.896580
where:
bonds (distance) C4'-P energy: -106.976
bonds (distance) P-C4' energy: -112.617
flat angles C4'-P-C4' energy: -103.851
flat angles P-C4'-P energy: -50.565
tors. eta vs tors. theta energy: -47.888
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: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -750.312422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.312422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.312422 (E_RNA)
where:
Base-Base interactions energy: -345.283
where: short stacking energy: -239.595
Base-Backbone interact. energy: -1.699
local terms energy: -403.329684
where:
bonds (distance) C4'-P energy: -103.362
bonds (distance) P-C4' energy: -110.990
flat angles C4'-P-C4' energy: -99.379
flat angles P-C4'-P energy: -63.737
tors. eta vs tors. theta energy: -25.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -702.053541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.053541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.053541 (E_RNA)
where:
Base-Base interactions energy: -295.812
where: short stacking energy: -211.826
Base-Backbone interact. energy: 0.212
local terms energy: -406.452859
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -126.560
flat angles C4'-P-C4' energy: -100.953
flat angles P-C4'-P energy: -70.617
tors. eta vs tors. theta energy: -14.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -615.872714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.872714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.872714 (E_RNA)
where:
Base-Base interactions energy: -274.812
where: short stacking energy: -179.404
Base-Backbone interact. energy: -1.774
local terms energy: -339.286361
where:
bonds (distance) C4'-P energy: -106.347
bonds (distance) P-C4' energy: -117.894
flat angles C4'-P-C4' energy: -74.562
flat angles P-C4'-P energy: -45.995
tors. eta vs tors. theta energy: 5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -522.886375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.886375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.886375 (E_RNA)
where:
Base-Base interactions energy: -179.582
where: short stacking energy: -155.267
Base-Backbone interact. energy: -1.660
local terms energy: -341.644087
where:
bonds (distance) C4'-P energy: -95.188
bonds (distance) P-C4' energy: -113.829
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -52.770
tors. eta vs tors. theta energy: 18.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -490.033626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.033626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.033626 (E_RNA)
where:
Base-Base interactions energy: -197.443
where: short stacking energy: -139.089
Base-Backbone interact. energy: -3.447
local terms energy: -289.143513
where:
bonds (distance) C4'-P energy: -81.913
bonds (distance) P-C4' energy: -113.686
flat angles C4'-P-C4' energy: -66.686
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: 9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1090.802237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.802237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.802237 (E_RNA)
where:
Base-Base interactions energy: -493.168
where: short stacking energy: -456.598
Base-Backbone interact. energy: -2.050
local terms energy: -595.584886
where:
bonds (distance) C4'-P energy: -142.237
bonds (distance) P-C4' energy: -127.249
flat angles C4'-P-C4' energy: -115.174
flat angles P-C4'-P energy: -89.075
tors. eta vs tors. theta energy: -121.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -996.895259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.895259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.895259 (E_RNA)
where:
Base-Base interactions energy: -447.136
where: short stacking energy: -399.664
Base-Backbone interact. energy: -0.370
local terms energy: -549.389533
where:
bonds (distance) C4'-P energy: -115.730
bonds (distance) P-C4' energy: -128.074
flat angles C4'-P-C4' energy: -128.246
flat angles P-C4'-P energy: -84.831
tors. eta vs tors. theta energy: -92.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -967.554123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.554123 (E_RNA)
where:
Base-Base interactions energy: -465.027
where: short stacking energy: -364.404
Base-Backbone interact. energy: 3.323
local terms energy: -505.850031
where:
bonds (distance) C4'-P energy: -123.190
bonds (distance) P-C4' energy: -110.370
flat angles C4'-P-C4' energy: -123.248
flat angles P-C4'-P energy: -74.787
tors. eta vs tors. theta energy: -74.256
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: 6
Temperature: 1.050000
Total energy: -907.435803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.435803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.435803 (E_RNA)
where:
Base-Base interactions energy: -447.595
where: short stacking energy: -326.135
Base-Backbone interact. energy: 2.926
local terms energy: -462.767300
where:
bonds (distance) C4'-P energy: -116.227
bonds (distance) P-C4' energy: -119.528
flat angles C4'-P-C4' energy: -116.756
flat angles P-C4'-P energy: -69.058
tors. eta vs tors. theta energy: -41.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -898.881133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.881133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.881133 (E_RNA)
where:
Base-Base interactions energy: -454.935
where: short stacking energy: -278.597
Base-Backbone interact. energy: -1.976
local terms energy: -441.970392
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -126.892
flat angles C4'-P-C4' energy: -107.540
flat angles P-C4'-P energy: -49.279
tors. eta vs tors. theta energy: -44.212
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: 6
Temperature: 1.150000
Total energy: -884.008194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.008194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.008194 (E_RNA)
where:
Base-Base interactions energy: -439.738
where: short stacking energy: -278.358
Base-Backbone interact. energy: 0.353
local terms energy: -444.623910
where:
bonds (distance) C4'-P energy: -92.177
bonds (distance) P-C4' energy: -123.255
flat angles C4'-P-C4' energy: -109.822
flat angles P-C4'-P energy: -78.205
tors. eta vs tors. theta energy: -41.165
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: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -701.725311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.725311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.725311 (E_RNA)
where:
Base-Base interactions energy: -344.606
where: short stacking energy: -242.399
Base-Backbone interact. energy: -2.331
local terms energy: -354.788862
where:
bonds (distance) C4'-P energy: -100.353
bonds (distance) P-C4' energy: -103.096
flat angles C4'-P-C4' energy: -110.548
flat angles P-C4'-P energy: -29.203
tors. eta vs tors. theta energy: -11.588
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: 7
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -662.311884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.311884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.311884 (E_RNA)
where:
Base-Base interactions energy: -290.552
where: short stacking energy: -198.032
Base-Backbone interact. energy: 2.573
local terms energy: -374.332751
where:
bonds (distance) C4'-P energy: -99.723
bonds (distance) P-C4' energy: -117.692
flat angles C4'-P-C4' energy: -85.972
flat angles P-C4'-P energy: -58.228
tors. eta vs tors. theta energy: -12.718
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -530.838468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.838468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.838468 (E_RNA)
where:
Base-Base interactions energy: -194.172
where: short stacking energy: -164.551
Base-Backbone interact. energy: 0.048
local terms energy: -336.714333
where:
bonds (distance) C4'-P energy: -88.277
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -93.015
flat angles P-C4'-P energy: -51.134
tors. eta vs tors. theta energy: -1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -556.607326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.607326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.607326 (E_RNA)
where:
Base-Base interactions energy: -224.929
where: short stacking energy: -183.477
Base-Backbone interact. energy: -1.142
local terms energy: -330.536516
where:
bonds (distance) C4'-P energy: -78.608
bonds (distance) P-C4' energy: -116.129
flat angles C4'-P-C4' energy: -90.443
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: 4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1160.428283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.428283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.428283 (E_RNA)
where:
Base-Base interactions energy: -559.088
where: short stacking energy: -451.171
Base-Backbone interact. energy: -1.418
local terms energy: -599.921734
where:
bonds (distance) C4'-P energy: -132.641
bonds (distance) P-C4' energy: -131.816
flat angles C4'-P-C4' energy: -126.425
flat angles P-C4'-P energy: -94.003
tors. eta vs tors. theta energy: -115.036
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: 7
Temperature: 0.950000
Total energy: -1132.953375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.953375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.953375 (E_RNA)
where:
Base-Base interactions energy: -567.107
where: short stacking energy: -421.331
Base-Backbone interact. energy: -1.386
local terms energy: -564.460688
where:
bonds (distance) C4'-P energy: -126.132
bonds (distance) P-C4' energy: -122.798
flat angles C4'-P-C4' energy: -125.624
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -114.287
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: 7
Temperature: 1.000000
Total energy: -989.757176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.757176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.757176 (E_RNA)
where:
Base-Base interactions energy: -468.331
where: short stacking energy: -384.091
Base-Backbone interact. energy: -2.179
local terms energy: -519.247735
where:
bonds (distance) C4'-P energy: -109.745
bonds (distance) P-C4' energy: -139.764
flat angles C4'-P-C4' energy: -109.623
flat angles P-C4'-P energy: -70.052
tors. eta vs tors. theta energy: -90.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -902.449155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.449155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.449155 (E_RNA)
where:
Base-Base interactions energy: -443.170
where: short stacking energy: -311.489
Base-Backbone interact. energy: -1.781
local terms energy: -457.498667
where:
bonds (distance) C4'-P energy: -118.600
bonds (distance) P-C4' energy: -122.751
flat angles C4'-P-C4' energy: -104.809
flat angles P-C4'-P energy: -65.065
tors. eta vs tors. theta energy: -46.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -924.740397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.740397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.740397 (E_RNA)
where:
Base-Base interactions energy: -462.872
where: short stacking energy: -300.439
Base-Backbone interact. energy: -1.134
local terms energy: -460.734561
where:
bonds (distance) C4'-P energy: -118.674
bonds (distance) P-C4' energy: -117.640
flat angles C4'-P-C4' energy: -110.723
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -45.586
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: 7
Temperature: 1.150000
Total energy: -898.628768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.628768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.628768 (E_RNA)
where:
Base-Base interactions energy: -437.831
where: short stacking energy: -275.575
Base-Backbone interact. energy: -2.034
local terms energy: -458.764387
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -123.379
flat angles C4'-P-C4' energy: -114.536
flat angles P-C4'-P energy: -67.751
tors. eta vs tors. theta energy: -52.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -699.479573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.479573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.479573 (E_RNA)
where:
Base-Base interactions energy: -324.223
where: short stacking energy: -219.374
Base-Backbone interact. energy: -3.291
local terms energy: -371.965327
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -102.859
flat angles P-C4'-P energy: -66.602
tors. eta vs tors. theta energy: -17.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -656.662027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.662027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.662027 (E_RNA)
where:
Base-Base interactions energy: -279.573
where: short stacking energy: -189.348
Base-Backbone interact. energy: -0.981
local terms energy: -376.108864
where:
bonds (distance) C4'-P energy: -112.665
bonds (distance) P-C4' energy: -105.258
flat angles C4'-P-C4' energy: -93.397
flat angles P-C4'-P energy: -47.496
tors. eta vs tors. theta energy: -17.294
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: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -531.913907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.913907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.913907 (E_RNA)
where:
Base-Base interactions energy: -187.451
where: short stacking energy: -154.894
Base-Backbone interact. energy: -2.812
local terms energy: -341.651283
where:
bonds (distance) C4'-P energy: -109.741
bonds (distance) P-C4' energy: -97.310
flat angles C4'-P-C4' energy: -101.800
flat angles P-C4'-P energy: -54.677
tors. eta vs tors. theta energy: 21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -509.012606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.012606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.012606 (E_RNA)
where:
Base-Base interactions energy: -183.969
where: short stacking energy: -126.033
Base-Backbone interact. energy: -0.779
local terms energy: -324.264904
where:
bonds (distance) C4'-P energy: -88.697
bonds (distance) P-C4' energy: -117.769
flat angles C4'-P-C4' energy: -95.153
flat angles P-C4'-P energy: -45.165
tors. eta vs tors. theta energy: 22.520
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1202.518571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.518571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.518571 (E_RNA)
where:
Base-Base interactions energy: -618.634
where: short stacking energy: -485.085
Base-Backbone interact. energy: -0.539
local terms energy: -583.345873
where:
bonds (distance) C4'-P energy: -123.174
bonds (distance) P-C4' energy: -129.339
flat angles C4'-P-C4' energy: -131.592
flat angles P-C4'-P energy: -85.390
tors. eta vs tors. theta energy: -113.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1162.311419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.311419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.311419 (E_RNA)
where:
Base-Base interactions energy: -574.853
where: short stacking energy: -439.050
Base-Backbone interact. energy: -1.766
local terms energy: -585.692208
where:
bonds (distance) C4'-P energy: -130.945
bonds (distance) P-C4' energy: -130.664
flat angles C4'-P-C4' energy: -127.302
flat angles P-C4'-P energy: -86.047
tors. eta vs tors. theta energy: -110.734
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: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1017.270162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.270162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.270162 (E_RNA)
where:
Base-Base interactions energy: -498.450
where: short stacking energy: -365.342
Base-Backbone interact. energy: -1.716
local terms energy: -517.104403
where:
bonds (distance) C4'-P energy: -121.631
bonds (distance) P-C4' energy: -119.266
flat angles C4'-P-C4' energy: -123.562
flat angles P-C4'-P energy: -76.393
tors. eta vs tors. theta energy: -76.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -956.557164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.557164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.557164 (E_RNA)
where:
Base-Base interactions energy: -483.269
where: short stacking energy: -333.855
Base-Backbone interact. energy: -2.944
local terms energy: -470.344372
where:
bonds (distance) C4'-P energy: -96.395
bonds (distance) P-C4' energy: -125.453
flat angles C4'-P-C4' energy: -100.536
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -64.433
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: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -978.051863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.051863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.051863 (E_RNA)
where:
Base-Base interactions energy: -510.775
where: short stacking energy: -331.681
Base-Backbone interact. energy: 1.295
local terms energy: -468.572109
where:
bonds (distance) C4'-P energy: -105.219
bonds (distance) P-C4' energy: -116.515
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -61.066
tors. eta vs tors. theta energy: -66.290
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: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -910.847283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.847283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.847283 (E_RNA)
where:
Base-Base interactions energy: -459.188
where: short stacking energy: -285.205
Base-Backbone interact. energy: -1.070
local terms energy: -450.588770
where:
bonds (distance) C4'-P energy: -115.740
bonds (distance) P-C4' energy: -113.139
flat angles C4'-P-C4' energy: -114.279
flat angles P-C4'-P energy: -72.517
tors. eta vs tors. theta energy: -34.914
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -754.224562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.224562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.224562 (E_RNA)
where:
Base-Base interactions energy: -384.146
where: short stacking energy: -220.680
Base-Backbone interact. energy: 1.244
local terms energy: -371.323101
where:
bonds (distance) C4'-P energy: -102.431
bonds (distance) P-C4' energy: -100.304
flat angles C4'-P-C4' energy: -105.837
flat angles P-C4'-P energy: -43.850
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -720.063561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.063561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.063561 (E_RNA)
where:
Base-Base interactions energy: -354.259
where: short stacking energy: -225.345
Base-Backbone interact. energy: -3.079
local terms energy: -362.725507
where:
bonds (distance) C4'-P energy: -99.355
bonds (distance) P-C4' energy: -105.364
flat angles C4'-P-C4' energy: -88.270
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -12.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -556.618644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.618644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.618644 (E_RNA)
where:
Base-Base interactions energy: -202.243
where: short stacking energy: -177.053
Base-Backbone interact. energy: 0.793
local terms energy: -355.168643
where:
bonds (distance) C4'-P energy: -113.519
bonds (distance) P-C4' energy: -106.597
flat angles C4'-P-C4' energy: -87.347
flat angles P-C4'-P energy: -59.835
tors. eta vs tors. theta energy: 12.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -519.224128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.224128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.224128 (E_RNA)
where:
Base-Base interactions energy: -197.144
where: short stacking energy: -139.754
Base-Backbone interact. energy: 7.380
local terms energy: -329.460310
where:
bonds (distance) C4'-P energy: -88.042
bonds (distance) P-C4' energy: -117.246
flat angles C4'-P-C4' energy: -102.292
flat angles P-C4'-P energy: -48.944
tors. eta vs tors. theta energy: 27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1174.689324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.689324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.689324 (E_RNA)
where:
Base-Base interactions energy: -603.422
where: short stacking energy: -451.989
Base-Backbone interact. energy: -0.089
local terms energy: -571.178374
where:
bonds (distance) C4'-P energy: -134.810
bonds (distance) P-C4' energy: -125.730
flat angles C4'-P-C4' energy: -122.488
flat angles P-C4'-P energy: -81.359
tors. eta vs tors. theta energy: -106.792
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1140.316446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.316446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.316446 (E_RNA)
where:
Base-Base interactions energy: -577.810
where: short stacking energy: -427.650
Base-Backbone interact. energy: -1.287
local terms energy: -561.219375
where:
bonds (distance) C4'-P energy: -127.720
bonds (distance) P-C4' energy: -119.962
flat angles C4'-P-C4' energy: -130.956
flat angles P-C4'-P energy: -78.375
tors. eta vs tors. theta energy: -104.207
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: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1103.228610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.228610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.228610 (E_RNA)
where:
Base-Base interactions energy: -595.244
where: short stacking energy: -391.926
Base-Backbone interact. energy: -1.002
local terms energy: -506.983034
where:
bonds (distance) C4'-P energy: -106.780
bonds (distance) P-C4' energy: -130.827
flat angles C4'-P-C4' energy: -124.373
flat angles P-C4'-P energy: -65.824
tors. eta vs tors. theta energy: -79.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1123.563041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.563041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.563041 (E_RNA)
where:
Base-Base interactions energy: -597.678
where: short stacking energy: -374.963
Base-Backbone interact. energy: -2.585
local terms energy: -523.299510
where:
bonds (distance) C4'-P energy: -119.273
bonds (distance) P-C4' energy: -118.053
flat angles C4'-P-C4' energy: -120.920
flat angles P-C4'-P energy: -72.334
tors. eta vs tors. theta energy: -92.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -855.436549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.436549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.436549 (E_RNA)
where:
Base-Base interactions energy: -434.767
where: short stacking energy: -292.794
Base-Backbone interact. energy: -2.790
local terms energy: -417.879603
where:
bonds (distance) C4'-P energy: -94.579
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -112.697
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -37.796
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: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -955.074952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.074952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.074952 (E_RNA)
where:
Base-Base interactions energy: -520.186
where: short stacking energy: -303.170
Base-Backbone interact. energy: -0.679
local terms energy: -434.210635
where:
bonds (distance) C4'-P energy: -112.217
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -94.099
flat angles P-C4'-P energy: -80.255
tors. eta vs tors. theta energy: -39.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -758.559110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.559110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.559110 (E_RNA)
where:
Base-Base interactions energy: -399.113
where: short stacking energy: -218.717
Base-Backbone interact. energy: -2.683
local terms energy: -356.763744
where:
bonds (distance) C4'-P energy: -93.386
bonds (distance) P-C4' energy: -94.994
flat angles C4'-P-C4' energy: -97.030
flat angles P-C4'-P energy: -55.812
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -730.339644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.339644 (E_RNA)
where:
Base-Base interactions energy: -340.593
where: short stacking energy: -228.438
Base-Backbone interact. energy: 4.462
local terms energy: -394.208129
where:
bonds (distance) C4'-P energy: -106.172
bonds (distance) P-C4' energy: -102.913
flat angles C4'-P-C4' energy: -96.844
flat angles P-C4'-P energy: -63.079
tors. eta vs tors. theta energy: -25.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -674.183007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.183007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.183007 (E_RNA)
where:
Base-Base interactions energy: -316.122
where: short stacking energy: -178.125
Base-Backbone interact. energy: 3.934
local terms energy: -361.995679
where:
bonds (distance) C4'-P energy: -103.713
bonds (distance) P-C4' energy: -107.364
flat angles C4'-P-C4' energy: -101.341
flat angles P-C4'-P energy: -58.281
tors. eta vs tors. theta energy: 8.704
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -544.262570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.262570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.262570 (E_RNA)
where:
Base-Base interactions energy: -252.548
where: short stacking energy: -169.719
Base-Backbone interact. energy: -1.071
local terms energy: -290.643833
where:
bonds (distance) C4'-P energy: -82.552
bonds (distance) P-C4' energy: -108.342
flat angles C4'-P-C4' energy: -88.990
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: 24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1232.936545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.936545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.936545 (E_RNA)
where:
Base-Base interactions energy: -637.790
where: short stacking energy: -458.473
Base-Backbone interact. energy: -0.447
local terms energy: -594.699566
where:
bonds (distance) C4'-P energy: -123.859
bonds (distance) P-C4' energy: -120.636
flat angles C4'-P-C4' energy: -144.395
flat angles P-C4'-P energy: -87.905
tors. eta vs tors. theta energy: -117.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1155.832047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.832047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.832047 (E_RNA)
where:
Base-Base interactions energy: -608.468
where: short stacking energy: -432.860
Base-Backbone interact. energy: -1.383
local terms energy: -545.980784
where:
bonds (distance) C4'-P energy: -110.056
bonds (distance) P-C4' energy: -114.615
flat angles C4'-P-C4' energy: -125.984
flat angles P-C4'-P energy: -90.557
tors. eta vs tors. theta energy: -104.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1260.254889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.254889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.254889 (E_RNA)
where:
Base-Base interactions energy: -709.376
where: short stacking energy: -436.237
Base-Backbone interact. energy: 0.341
local terms energy: -551.219296
where:
bonds (distance) C4'-P energy: -117.952
bonds (distance) P-C4' energy: -127.722
flat angles C4'-P-C4' energy: -126.529
flat angles P-C4'-P energy: -77.751
tors. eta vs tors. theta energy: -101.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1022.047771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.047771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.047771 (E_RNA)
where:
Base-Base interactions energy: -515.052
where: short stacking energy: -338.291
Base-Backbone interact. energy: 0.750
local terms energy: -507.746110
where:
bonds (distance) C4'-P energy: -122.136
bonds (distance) P-C4' energy: -127.780
flat angles C4'-P-C4' energy: -111.688
flat angles P-C4'-P energy: -82.867
tors. eta vs tors. theta energy: -63.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1034.938172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.938172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.938172 (E_RNA)
where:
Base-Base interactions energy: -575.105
where: short stacking energy: -318.282
Base-Backbone interact. energy: 5.115
local terms energy: -464.948499
where:
bonds (distance) C4'-P energy: -107.407
bonds (distance) P-C4' energy: -121.720
flat angles C4'-P-C4' energy: -101.903
flat angles P-C4'-P energy: -77.944
tors. eta vs tors. theta energy: -55.975
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: 10
Temperature: 1.150000
Total energy: -839.690860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.690860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.690860 (E_RNA)
where:
Base-Base interactions energy: -411.894
where: short stacking energy: -260.802
Base-Backbone interact. energy: -0.189
local terms energy: -427.608042
where:
bonds (distance) C4'-P energy: -95.048
bonds (distance) P-C4' energy: -127.830
flat angles C4'-P-C4' energy: -105.019
flat angles P-C4'-P energy: -68.581
tors. eta vs tors. theta energy: -31.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -778.854405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.854405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.854405 (E_RNA)
where:
Base-Base interactions energy: -390.776
where: short stacking energy: -259.860
Base-Backbone interact. energy: 1.137
local terms energy: -389.215239
where:
bonds (distance) C4'-P energy: -119.197
bonds (distance) P-C4' energy: -109.991
flat angles C4'-P-C4' energy: -88.842
flat angles P-C4'-P energy: -59.203
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -704.788274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.788274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.788274 (E_RNA)
where:
Base-Base interactions energy: -312.554
where: short stacking energy: -223.799
Base-Backbone interact. energy: -0.043
local terms energy: -392.190620
where:
bonds (distance) C4'-P energy: -103.608
bonds (distance) P-C4' energy: -116.589
flat angles C4'-P-C4' energy: -103.896
flat angles P-C4'-P energy: -51.915
tors. eta vs tors. theta energy: -16.182
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: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -628.590017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.590017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.590017 (E_RNA)
where:
Base-Base interactions energy: -282.013
where: short stacking energy: -183.889
Base-Backbone interact. energy: 4.750
local terms energy: -351.327734
where:
bonds (distance) C4'-P energy: -105.084
bonds (distance) P-C4' energy: -107.852
flat angles C4'-P-C4' energy: -75.231
flat angles P-C4'-P energy: -64.551
tors. eta vs tors. theta energy: 1.391
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: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -557.790451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.790451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.790451 (E_RNA)
where:
Base-Base interactions energy: -225.826
where: short stacking energy: -151.052
Base-Backbone interact. energy: 1.242
local terms energy: -333.205948
where:
bonds (distance) C4'-P energy: -106.403
bonds (distance) P-C4' energy: -85.506
flat angles C4'-P-C4' energy: -102.966
flat angles P-C4'-P energy: -56.149
tors. eta vs tors. theta energy: 17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1252.299800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.299800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.299800 (E_RNA)
where:
Base-Base interactions energy: -648.577
where: short stacking energy: -478.370
Base-Backbone interact. energy: 0.561
local terms energy: -604.283894
where:
bonds (distance) C4'-P energy: -132.374
bonds (distance) P-C4' energy: -126.649
flat angles C4'-P-C4' energy: -138.771
flat angles P-C4'-P energy: -84.157
tors. eta vs tors. theta energy: -122.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1412.018844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.018844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.018844 (E_RNA)
where:
Base-Base interactions energy: -839.263
where: short stacking energy: -420.362
Base-Backbone interact. energy: -2.020
local terms energy: -570.736142
where:
bonds (distance) C4'-P energy: -125.634
bonds (distance) P-C4' energy: -133.726
flat angles C4'-P-C4' energy: -127.752
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -95.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1079.203441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.203441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.203441 (E_RNA)
where:
Base-Base interactions energy: -530.228
where: short stacking energy: -400.307
Base-Backbone interact. energy: -2.814
local terms energy: -546.161520
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -108.971
flat angles C4'-P-C4' energy: -133.925
flat angles P-C4'-P energy: -91.749
tors. eta vs tors. theta energy: -96.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1112.784178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.784178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.784178 (E_RNA)
where:
Base-Base interactions energy: -577.763
where: short stacking energy: -372.272
Base-Backbone interact. energy: -1.222
local terms energy: -533.799389
where:
bonds (distance) C4'-P energy: -132.216
bonds (distance) P-C4' energy: -121.455
flat angles C4'-P-C4' energy: -123.627
flat angles P-C4'-P energy: -66.715
tors. eta vs tors. theta energy: -89.787
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: 11
Temperature: 1.100000
Total energy: -1076.073310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.073310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.073310 (E_RNA)
where:
Base-Base interactions energy: -599.781
where: short stacking energy: -299.159
Base-Backbone interact. energy: -0.734
local terms energy: -475.559010
where:
bonds (distance) C4'-P energy: -115.731
bonds (distance) P-C4' energy: -129.435
flat angles C4'-P-C4' energy: -117.515
flat angles P-C4'-P energy: -69.765
tors. eta vs tors. theta energy: -43.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -912.456351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.456351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.456351 (E_RNA)
where:
Base-Base interactions energy: -477.492
where: short stacking energy: -267.856
Base-Backbone interact. energy: 2.645
local terms energy: -437.608930
where:
bonds (distance) C4'-P energy: -122.667
bonds (distance) P-C4' energy: -107.743
flat angles C4'-P-C4' energy: -110.538
flat angles P-C4'-P energy: -63.274
tors. eta vs tors. theta energy: -33.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -818.789390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.789390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.789390 (E_RNA)
where:
Base-Base interactions energy: -411.936
where: short stacking energy: -224.465
Base-Backbone interact. energy: 5.906
local terms energy: -412.758879
where:
bonds (distance) C4'-P energy: -110.026
bonds (distance) P-C4' energy: -117.333
flat angles C4'-P-C4' energy: -96.428
flat angles P-C4'-P energy: -61.875
tors. eta vs tors. theta energy: -27.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -657.716469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.716469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.716469 (E_RNA)
where:
Base-Base interactions energy: -298.458
where: short stacking energy: -206.139
Base-Backbone interact. energy: 5.816
local terms energy: -365.074394
where:
bonds (distance) C4'-P energy: -95.297
bonds (distance) P-C4' energy: -119.369
flat angles C4'-P-C4' energy: -73.583
flat angles P-C4'-P energy: -68.193
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -667.146198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.146198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.146198 (E_RNA)
where:
Base-Base interactions energy: -342.744
where: short stacking energy: -214.891
Base-Backbone interact. energy: 8.505
local terms energy: -332.907548
where:
bonds (distance) C4'-P energy: -89.963
bonds (distance) P-C4' energy: -99.947
flat angles C4'-P-C4' energy: -92.227
flat angles P-C4'-P energy: -50.354
tors. eta vs tors. theta energy: -0.417
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: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -601.403215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.403215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.403215 (E_RNA)
where:
Base-Base interactions energy: -277.232
where: short stacking energy: -159.439
Base-Backbone interact. energy: 1.697
local terms energy: -325.868460
where:
bonds (distance) C4'-P energy: -87.862
bonds (distance) P-C4' energy: -113.531
flat angles C4'-P-C4' energy: -77.129
flat angles P-C4'-P energy: -56.101
tors. eta vs tors. theta energy: 8.754
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: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1491.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.713131 (E_RNA)
where:
Base-Base interactions energy: -903.285
where: short stacking energy: -468.814
Base-Backbone interact. energy: -4.300
local terms energy: -584.128109
where:
bonds (distance) C4'-P energy: -131.308
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -140.176
flat angles P-C4'-P energy: -72.086
tors. eta vs tors. theta energy: -102.755
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: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1138.565272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.565272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.565272 (E_RNA)
where:
Base-Base interactions energy: -598.428
where: short stacking energy: -425.059
Base-Backbone interact. energy: -1.140
local terms energy: -538.997212
where:
bonds (distance) C4'-P energy: -114.945
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -140.640
flat angles P-C4'-P energy: -72.802
tors. eta vs tors. theta energy: -96.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1300.405374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.405374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.405374 (E_RNA)
where:
Base-Base interactions energy: -757.409
where: short stacking energy: -430.856
Base-Backbone interact. energy: -3.541
local terms energy: -539.454704
where:
bonds (distance) C4'-P energy: -114.332
bonds (distance) P-C4' energy: -132.335
flat angles C4'-P-C4' energy: -122.102
flat angles P-C4'-P energy: -70.412
tors. eta vs tors. theta energy: -100.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1022.306474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.306474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.306474 (E_RNA)
where:
Base-Base interactions energy: -523.816
where: short stacking energy: -370.053
Base-Backbone interact. energy: 1.756
local terms energy: -500.246846
where:
bonds (distance) C4'-P energy: -125.671
bonds (distance) P-C4' energy: -127.180
flat angles C4'-P-C4' energy: -106.344
flat angles P-C4'-P energy: -74.547
tors. eta vs tors. theta energy: -66.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1163.160199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.160199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.160199 (E_RNA)
where:
Base-Base interactions energy: -657.080
where: short stacking energy: -345.885
Base-Backbone interact. energy: -0.255
local terms energy: -505.825155
where:
bonds (distance) C4'-P energy: -120.905
bonds (distance) P-C4' energy: -127.266
flat angles C4'-P-C4' energy: -121.820
flat angles P-C4'-P energy: -66.537
tors. eta vs tors. theta energy: -69.298
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: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -975.290075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.290075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.290075 (E_RNA)
where:
Base-Base interactions energy: -531.484
where: short stacking energy: -314.675
Base-Backbone interact. energy: 3.253
local terms energy: -447.059228
where:
bonds (distance) C4'-P energy: -107.800
bonds (distance) P-C4' energy: -101.975
flat angles C4'-P-C4' energy: -110.275
flat angles P-C4'-P energy: -75.324
tors. eta vs tors. theta energy: -51.685
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: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -779.883913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.883913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.883913 (E_RNA)
where:
Base-Base interactions energy: -383.164
where: short stacking energy: -218.236
Base-Backbone interact. energy: -1.641
local terms energy: -395.078384
where:
bonds (distance) C4'-P energy: -106.430
bonds (distance) P-C4' energy: -106.177
flat angles C4'-P-C4' energy: -103.429
flat angles P-C4'-P energy: -52.438
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -702.650291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.650291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.650291 (E_RNA)
where:
Base-Base interactions energy: -294.042
where: short stacking energy: -191.077
Base-Backbone interact. energy: -1.031
local terms energy: -407.577043
where:
bonds (distance) C4'-P energy: -122.287
bonds (distance) P-C4' energy: -86.901
flat angles C4'-P-C4' energy: -118.319
flat angles P-C4'-P energy: -69.171
tors. eta vs tors. theta energy: -10.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -661.594487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.594487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.594487 (E_RNA)
where:
Base-Base interactions energy: -304.472
where: short stacking energy: -183.253
Base-Backbone interact. energy: 5.015
local terms energy: -362.137283
where:
bonds (distance) C4'-P energy: -106.822
bonds (distance) P-C4' energy: -121.391
flat angles C4'-P-C4' energy: -78.934
flat angles P-C4'-P energy: -62.592
tors. eta vs tors. theta energy: 7.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -592.325150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.325150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.325150 (E_RNA)
where:
Base-Base interactions energy: -295.071
where: short stacking energy: -158.468
Base-Backbone interact. energy: 0.288
local terms energy: -297.542508
where:
bonds (distance) C4'-P energy: -101.351
bonds (distance) P-C4' energy: -89.181
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: 24.049
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: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1497.423828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.423828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.423828 (E_RNA)
where:
Base-Base interactions energy: -910.365
where: short stacking energy: -505.340
Base-Backbone interact. energy: 5.456
local terms energy: -592.515380
where:
bonds (distance) C4'-P energy: -125.666
bonds (distance) P-C4' energy: -128.192
flat angles C4'-P-C4' energy: -145.023
flat angles P-C4'-P energy: -72.896
tors. eta vs tors. theta energy: -120.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1330.466539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.466539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.466539 (E_RNA)
where:
Base-Base interactions energy: -762.918
where: short stacking energy: -460.004
Base-Backbone interact. energy: -0.906
local terms energy: -566.642049
where:
bonds (distance) C4'-P energy: -122.800
bonds (distance) P-C4' energy: -120.166
flat angles C4'-P-C4' energy: -128.510
flat angles P-C4'-P energy: -80.881
tors. eta vs tors. theta energy: -114.285
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: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1110.925696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.925696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.925696 (E_RNA)
where:
Base-Base interactions energy: -573.497
where: short stacking energy: -389.421
Base-Backbone interact. energy: -0.696
local terms energy: -536.733628
where:
bonds (distance) C4'-P energy: -120.673
bonds (distance) P-C4' energy: -127.431
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -71.769
tors. eta vs tors. theta energy: -110.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1253.418047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.418047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.418047 (E_RNA)
where:
Base-Base interactions energy: -758.102
where: short stacking energy: -386.191
Base-Backbone interact. energy: 2.159
local terms energy: -497.475296
where:
bonds (distance) C4'-P energy: -123.129
bonds (distance) P-C4' energy: -131.348
flat angles C4'-P-C4' energy: -102.751
flat angles P-C4'-P energy: -69.002
tors. eta vs tors. theta energy: -71.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -901.312161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.312161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.312161 (E_RNA)
where:
Base-Base interactions energy: -454.101
where: short stacking energy: -295.086
Base-Backbone interact. energy: -0.308
local terms energy: -446.903207
where:
bonds (distance) C4'-P energy: -115.809
bonds (distance) P-C4' energy: -110.778
flat angles C4'-P-C4' energy: -113.324
flat angles P-C4'-P energy: -53.537
tors. eta vs tors. theta energy: -53.456
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: 13
Temperature: 1.150000
Total energy: -996.681606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.681606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.681606 (E_RNA)
where:
Base-Base interactions energy: -551.805
where: short stacking energy: -274.286
Base-Backbone interact. energy: 0.251
local terms energy: -445.126963
where:
bonds (distance) C4'-P energy: -104.703
bonds (distance) P-C4' energy: -125.181
flat angles C4'-P-C4' energy: -99.277
flat angles P-C4'-P energy: -67.951
tors. eta vs tors. theta energy: -48.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -781.672124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.672124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.672124 (E_RNA)
where:
Base-Base interactions energy: -410.423
where: short stacking energy: -247.917
Base-Backbone interact. energy: -2.411
local terms energy: -368.838741
where:
bonds (distance) C4'-P energy: -97.535
bonds (distance) P-C4' energy: -114.688
flat angles C4'-P-C4' energy: -87.049
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -18.639
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: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -785.542220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.542220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.542220 (E_RNA)
where:
Base-Base interactions energy: -417.218
where: short stacking energy: -222.958
Base-Backbone interact. energy: -0.943
local terms energy: -367.381895
where:
bonds (distance) C4'-P energy: -114.168
bonds (distance) P-C4' energy: -95.811
flat angles C4'-P-C4' energy: -93.153
flat angles P-C4'-P energy: -54.017
tors. eta vs tors. theta energy: -10.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -686.958177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.958177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.958177 (E_RNA)
where:
Base-Base interactions energy: -334.308
where: short stacking energy: -195.114
Base-Backbone interact. energy: 1.658
local terms energy: -354.308793
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -95.530
flat angles C4'-P-C4' energy: -99.329
flat angles P-C4'-P energy: -56.037
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -495.089282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.089282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.089282 (E_RNA)
where:
Base-Base interactions energy: -187.046
where: short stacking energy: -147.972
Base-Backbone interact. energy: 0.780
local terms energy: -308.823291
where:
bonds (distance) C4'-P energy: -93.097
bonds (distance) P-C4' energy: -90.801
flat angles C4'-P-C4' energy: -89.812
flat angles P-C4'-P energy: -39.763
tors. eta vs tors. theta energy: 4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1512.852556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.852556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.852556 (E_RNA)
where:
Base-Base interactions energy: -943.651
where: short stacking energy: -487.859
Base-Backbone interact. energy: -0.173
local terms energy: -569.028369
where:
bonds (distance) C4'-P energy: -123.375
bonds (distance) P-C4' energy: -121.196
flat angles C4'-P-C4' energy: -134.368
flat angles P-C4'-P energy: -79.828
tors. eta vs tors. theta energy: -110.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1308.073887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.073887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.073887 (E_RNA)
where:
Base-Base interactions energy: -732.320
where: short stacking energy: -438.079
Base-Backbone interact. energy: -1.497
local terms energy: -574.257445
where:
bonds (distance) C4'-P energy: -122.207
bonds (distance) P-C4' energy: -135.718
flat angles C4'-P-C4' energy: -134.590
flat angles P-C4'-P energy: -77.836
tors. eta vs tors. theta energy: -103.907
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: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1377.131099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.131099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.131099 (E_RNA)
where:
Base-Base interactions energy: -841.766
where: short stacking energy: -405.689
Base-Backbone interact. energy: -1.466
local terms energy: -533.899057
where:
bonds (distance) C4'-P energy: -117.887
bonds (distance) P-C4' energy: -119.850
flat angles C4'-P-C4' energy: -126.192
flat angles P-C4'-P energy: -87.472
tors. eta vs tors. theta energy: -82.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1068.822172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.822172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.822172 (E_RNA)
where:
Base-Base interactions energy: -553.831
where: short stacking energy: -360.558
Base-Backbone interact. energy: -0.639
local terms energy: -514.352225
where:
bonds (distance) C4'-P energy: -111.341
bonds (distance) P-C4' energy: -119.109
flat angles C4'-P-C4' energy: -137.663
flat angles P-C4'-P energy: -69.311
tors. eta vs tors. theta energy: -76.928
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: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1079.967665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.967665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.967665 (E_RNA)
where:
Base-Base interactions energy: -638.078
where: short stacking energy: -347.955
Base-Backbone interact. energy: -2.896
local terms energy: -438.993406
where:
bonds (distance) C4'-P energy: -96.263
bonds (distance) P-C4' energy: -115.503
flat angles C4'-P-C4' energy: -119.560
flat angles P-C4'-P energy: -55.973
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: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -803.749615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.749615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.749615 (E_RNA)
where:
Base-Base interactions energy: -372.815
where: short stacking energy: -252.966
Base-Backbone interact. energy: 1.701
local terms energy: -432.635279
where:
bonds (distance) C4'-P energy: -108.947
bonds (distance) P-C4' energy: -114.446
flat angles C4'-P-C4' energy: -109.202
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -33.568
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: 14
Temperature: 1.200000
Total energy: -812.739489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.739489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.739489 (E_RNA)
where:
Base-Base interactions energy: -432.166
where: short stacking energy: -244.812
Base-Backbone interact. energy: 1.811
local terms energy: -382.383919
where:
bonds (distance) C4'-P energy: -105.517
bonds (distance) P-C4' energy: -82.943
flat angles C4'-P-C4' energy: -108.428
flat angles P-C4'-P energy: -51.245
tors. eta vs tors. theta energy: -34.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -636.643820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.643820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.643820 (E_RNA)
where:
Base-Base interactions energy: -290.030
where: short stacking energy: -186.408
Base-Backbone interact. energy: 1.506
local terms energy: -348.119714
where:
bonds (distance) C4'-P energy: -88.271
bonds (distance) P-C4' energy: -116.853
flat angles C4'-P-C4' energy: -90.807
flat angles P-C4'-P energy: -50.711
tors. eta vs tors. theta energy: -1.477
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: 7
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -649.869656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.869656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.869656 (E_RNA)
where:
Base-Base interactions energy: -284.577
where: short stacking energy: -170.419
Base-Backbone interact. energy: -0.983
local terms energy: -364.309032
where:
bonds (distance) C4'-P energy: -101.742
bonds (distance) P-C4' energy: -110.935
flat angles C4'-P-C4' energy: -100.564
flat angles P-C4'-P energy: -51.483
tors. eta vs tors. theta energy: 0.415
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: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -457.737062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.737062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.737062 (E_RNA)
where:
Base-Base interactions energy: -198.798
where: short stacking energy: -145.735
Base-Backbone interact. energy: 6.185
local terms energy: -265.123543
where:
bonds (distance) C4'-P energy: -75.509
bonds (distance) P-C4' energy: -98.043
flat angles C4'-P-C4' energy: -89.949
flat angles P-C4'-P energy: -40.092
tors. eta vs tors. theta energy: 38.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1546.211730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.211730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.211730 (E_RNA)
where:
Base-Base interactions energy: -959.873
where: short stacking energy: -473.932
Base-Backbone interact. energy: -3.460
local terms energy: -582.878379
where:
bonds (distance) C4'-P energy: -127.451
bonds (distance) P-C4' energy: -127.753
flat angles C4'-P-C4' energy: -132.401
flat angles P-C4'-P energy: -85.553
tors. eta vs tors. theta energy: -109.721
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1503.832067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.832067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.832067 (E_RNA)
where:
Base-Base interactions energy: -951.847
where: short stacking energy: -500.411
Base-Backbone interact. energy: -0.539
local terms energy: -551.446336
where:
bonds (distance) C4'-P energy: -111.970
bonds (distance) P-C4' energy: -108.199
flat angles C4'-P-C4' energy: -133.071
flat angles P-C4'-P energy: -81.618
tors. eta vs tors. theta energy: -116.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1283.007187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.007187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.007187 (E_RNA)
where:
Base-Base interactions energy: -737.589
where: short stacking energy: -429.954
Base-Backbone interact. energy: -0.061
local terms energy: -545.357224
where:
bonds (distance) C4'-P energy: -116.796
bonds (distance) P-C4' energy: -115.648
flat angles C4'-P-C4' energy: -125.330
flat angles P-C4'-P energy: -87.169
tors. eta vs tors. theta energy: -100.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1282.481098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.481098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.481098 (E_RNA)
where:
Base-Base interactions energy: -751.653
where: short stacking energy: -362.985
Base-Backbone interact. energy: -1.567
local terms energy: -529.260586
where:
bonds (distance) C4'-P energy: -121.773
bonds (distance) P-C4' energy: -134.962
flat angles C4'-P-C4' energy: -113.636
flat angles P-C4'-P energy: -75.480
tors. eta vs tors. theta energy: -83.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -898.460324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.460324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.460324 (E_RNA)
where:
Base-Base interactions energy: -436.111
where: short stacking energy: -297.002
Base-Backbone interact. energy: -4.188
local terms energy: -458.160694
where:
bonds (distance) C4'-P energy: -109.811
bonds (distance) P-C4' energy: -115.881
flat angles C4'-P-C4' energy: -113.621
flat angles P-C4'-P energy: -61.431
tors. eta vs tors. theta energy: -57.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -910.236386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.236386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.236386 (E_RNA)
where:
Base-Base interactions energy: -468.923
where: short stacking energy: -275.799
Base-Backbone interact. energy: 3.129
local terms energy: -444.441937
where:
bonds (distance) C4'-P energy: -108.160
bonds (distance) P-C4' energy: -116.714
flat angles C4'-P-C4' energy: -109.485
flat angles P-C4'-P energy: -70.090
tors. eta vs tors. theta energy: -39.993
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: 2
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -771.123521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.123521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.123521 (E_RNA)
where:
Base-Base interactions energy: -344.446
where: short stacking energy: -277.024
Base-Backbone interact. energy: 2.282
local terms energy: -428.959738
where:
bonds (distance) C4'-P energy: -122.554
bonds (distance) P-C4' energy: -113.794
flat angles C4'-P-C4' energy: -91.508
flat angles P-C4'-P energy: -66.251
tors. eta vs tors. theta energy: -34.852
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: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -734.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.285911 (E_RNA)
where:
Base-Base interactions energy: -362.273
where: short stacking energy: -206.219
Base-Backbone interact. energy: -2.253
local terms energy: -369.760702
where:
bonds (distance) C4'-P energy: -90.283
bonds (distance) P-C4' energy: -98.585
flat angles C4'-P-C4' energy: -95.823
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -586.160999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.160999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.160999 (E_RNA)
where:
Base-Base interactions energy: -266.148
where: short stacking energy: -147.446
Base-Backbone interact. energy: 0.918
local terms energy: -320.931622
where:
bonds (distance) C4'-P energy: -88.569
bonds (distance) P-C4' energy: -103.056
flat angles C4'-P-C4' energy: -88.792
flat angles P-C4'-P energy: -50.146
tors. eta vs tors. theta energy: 9.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -497.030198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.030198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.030198 (E_RNA)
where:
Base-Base interactions energy: -182.646
where: short stacking energy: -144.923
Base-Backbone interact. energy: 2.990
local terms energy: -317.374327
where:
bonds (distance) C4'-P energy: -91.566
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -50.410
tors. eta vs tors. theta energy: 7.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1669.239161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.239161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.239161 (E_RNA)
where:
Base-Base interactions energy: -1070.627
where: short stacking energy: -535.939
Base-Backbone interact. energy: -2.461
local terms energy: -596.151848
where:
bonds (distance) C4'-P energy: -122.765
bonds (distance) P-C4' energy: -122.513
flat angles C4'-P-C4' energy: -140.671
flat angles P-C4'-P energy: -67.749
tors. eta vs tors. theta energy: -142.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1482.047727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.047727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.047727 (E_RNA)
where:
Base-Base interactions energy: -898.352
where: short stacking energy: -455.018
Base-Backbone interact. energy: -4.069
local terms energy: -579.626399
where:
bonds (distance) C4'-P energy: -115.641
bonds (distance) P-C4' energy: -125.791
flat angles C4'-P-C4' energy: -130.808
flat angles P-C4'-P energy: -88.696
tors. eta vs tors. theta energy: -118.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1416.878491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.878491 (E_RNA)
where:
Base-Base interactions energy: -874.648
where: short stacking energy: -414.868
Base-Backbone interact. energy: 0.356
local terms energy: -542.586415
where:
bonds (distance) C4'-P energy: -110.976
bonds (distance) P-C4' energy: -128.325
flat angles C4'-P-C4' energy: -131.563
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -99.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1166.546786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.546786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.546786 (E_RNA)
where:
Base-Base interactions energy: -676.209
where: short stacking energy: -358.058
Base-Backbone interact. energy: -1.276
local terms energy: -489.062043
where:
bonds (distance) C4'-P energy: -117.922
bonds (distance) P-C4' energy: -114.498
flat angles C4'-P-C4' energy: -105.373
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -70.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1033.458763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.458763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.458763 (E_RNA)
where:
Base-Base interactions energy: -568.937
where: short stacking energy: -282.314
Base-Backbone interact. energy: -1.706
local terms energy: -462.815618
where:
bonds (distance) C4'-P energy: -111.471
bonds (distance) P-C4' energy: -107.409
flat angles C4'-P-C4' energy: -115.188
flat angles P-C4'-P energy: -73.965
tors. eta vs tors. theta energy: -54.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -888.285756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.285756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.285756 (E_RNA)
where:
Base-Base interactions energy: -455.740
where: short stacking energy: -271.410
Base-Backbone interact. energy: 6.823
local terms energy: -439.368189
where:
bonds (distance) C4'-P energy: -118.803
bonds (distance) P-C4' energy: -101.299
flat angles C4'-P-C4' energy: -114.759
flat angles P-C4'-P energy: -64.724
tors. eta vs tors. theta energy: -39.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -768.590234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.590234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.590234 (E_RNA)
where:
Base-Base interactions energy: -367.225
where: short stacking energy: -244.045
Base-Backbone interact. energy: 4.004
local terms energy: -405.368892
where:
bonds (distance) C4'-P energy: -102.398
bonds (distance) P-C4' energy: -127.105
flat angles C4'-P-C4' energy: -85.821
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -27.015
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: 8, replica: 2
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -586.102818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.102818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.102818 (E_RNA)
where:
Base-Base interactions energy: -221.919
where: short stacking energy: -181.787
Base-Backbone interact. energy: 2.505
local terms energy: -366.688300
where:
bonds (distance) C4'-P energy: -113.184
bonds (distance) P-C4' energy: -114.214
flat angles C4'-P-C4' energy: -82.744
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -580.060730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.060730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.060730 (E_RNA)
where:
Base-Base interactions energy: -257.302
where: short stacking energy: -173.057
Base-Backbone interact. energy: -0.731
local terms energy: -322.026991
where:
bonds (distance) C4'-P energy: -118.602
bonds (distance) P-C4' energy: -93.237
flat angles C4'-P-C4' energy: -88.082
flat angles P-C4'-P energy: -42.385
tors. eta vs tors. theta energy: 20.279
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: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -528.492583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.492583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.492583 (E_RNA)
where:
Base-Base interactions energy: -197.783
where: short stacking energy: -129.331
Base-Backbone interact. energy: -0.111
local terms energy: -330.598645
where:
bonds (distance) C4'-P energy: -98.364
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -79.391
flat angles P-C4'-P energy: -60.506
tors. eta vs tors. theta energy: 20.814
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: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1677.009787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.009787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.009787 (E_RNA)
where:
Base-Base interactions energy: -1061.492
where: short stacking energy: -511.657
Base-Backbone interact. energy: 1.028
local terms energy: -616.545479
where:
bonds (distance) C4'-P energy: -126.532
bonds (distance) P-C4' energy: -134.220
flat angles C4'-P-C4' energy: -139.609
flat angles P-C4'-P energy: -89.410
tors. eta vs tors. theta energy: -126.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1514.941687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.941687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.941687 (E_RNA)
where:
Base-Base interactions energy: -945.395
where: short stacking energy: -498.969
Base-Backbone interact. energy: -5.160
local terms energy: -564.387080
where:
bonds (distance) C4'-P energy: -103.411
bonds (distance) P-C4' energy: -125.920
flat angles C4'-P-C4' energy: -126.218
flat angles P-C4'-P energy: -78.057
tors. eta vs tors. theta energy: -130.781
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: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1433.707461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.707461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.707461 (E_RNA)
where:
Base-Base interactions energy: -876.683
where: short stacking energy: -414.922
Base-Backbone interact. energy: -3.136
local terms energy: -553.888463
where:
bonds (distance) C4'-P energy: -119.779
bonds (distance) P-C4' energy: -127.838
flat angles C4'-P-C4' energy: -120.411
flat angles P-C4'-P energy: -89.164
tors. eta vs tors. theta energy: -96.696
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: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1166.635116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.635116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.635116 (E_RNA)
where:
Base-Base interactions energy: -665.063
where: short stacking energy: -377.409
Base-Backbone interact. energy: 2.535
local terms energy: -504.107363
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -133.001
flat angles C4'-P-C4' energy: -104.188
flat angles P-C4'-P energy: -77.632
tors. eta vs tors. theta energy: -76.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1152.818518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.818518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.818518 (E_RNA)
where:
Base-Base interactions energy: -680.416
where: short stacking energy: -325.282
Base-Backbone interact. energy: -1.390
local terms energy: -471.012143
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -126.258
flat angles C4'-P-C4' energy: -118.965
flat angles P-C4'-P energy: -51.313
tors. eta vs tors. theta energy: -60.213
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: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -862.059062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.059062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.059062 (E_RNA)
where:
Base-Base interactions energy: -417.140
where: short stacking energy: -249.186
Base-Backbone interact. energy: -1.533
local terms energy: -443.386152
where:
bonds (distance) C4'-P energy: -101.788
bonds (distance) P-C4' energy: -113.969
flat angles C4'-P-C4' energy: -103.753
flat angles P-C4'-P energy: -75.271
tors. eta vs tors. theta energy: -48.605
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -735.888815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.888815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.888815 (E_RNA)
where:
Base-Base interactions energy: -322.711
where: short stacking energy: -220.449
Base-Backbone interact. energy: 0.791
local terms energy: -413.968945
where:
bonds (distance) C4'-P energy: -99.627
bonds (distance) P-C4' energy: -128.283
flat angles C4'-P-C4' energy: -97.960
flat angles P-C4'-P energy: -69.380
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -566.882414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.882414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.882414 (E_RNA)
where:
Base-Base interactions energy: -203.438
where: short stacking energy: -165.205
Base-Backbone interact. energy: -2.949
local terms energy: -360.495515
where:
bonds (distance) C4'-P energy: -115.529
bonds (distance) P-C4' energy: -106.498
flat angles C4'-P-C4' energy: -96.569
flat angles P-C4'-P energy: -49.650
tors. eta vs tors. theta energy: 7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -668.835182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.835182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.835182 (E_RNA)
where:
Base-Base interactions energy: -310.981
where: short stacking energy: -194.701
Base-Backbone interact. energy: -1.223
local terms energy: -356.631829
where:
bonds (distance) C4'-P energy: -95.811
bonds (distance) P-C4' energy: -95.808
flat angles C4'-P-C4' energy: -97.542
flat angles P-C4'-P energy: -62.954
tors. eta vs tors. theta energy: -4.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -510.103219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.103219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.103219 (E_RNA)
where:
Base-Base interactions energy: -189.411
where: short stacking energy: -150.349
Base-Backbone interact. energy: 1.048
local terms energy: -321.740436
where:
bonds (distance) C4'-P energy: -99.468
bonds (distance) P-C4' energy: -104.840
flat angles C4'-P-C4' energy: -80.936
flat angles P-C4'-P energy: -48.090
tors. eta vs tors. theta energy: 11.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1728.107073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.107073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.107073 (E_RNA)
where:
Base-Base interactions energy: -1134.444
where: short stacking energy: -523.406
Base-Backbone interact. energy: -4.565
local terms energy: -589.098394
where:
bonds (distance) C4'-P energy: -110.523
bonds (distance) P-C4' energy: -130.798
flat angles C4'-P-C4' energy: -135.638
flat angles P-C4'-P energy: -86.846
tors. eta vs tors. theta energy: -125.293
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: 2, replica: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1496.921972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.921972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.921972 (E_RNA)
where:
Base-Base interactions energy: -938.304
where: short stacking energy: -482.955
Base-Backbone interact. energy: -4.349
local terms energy: -554.269007
where:
bonds (distance) C4'-P energy: -106.040
bonds (distance) P-C4' energy: -129.605
flat angles C4'-P-C4' energy: -131.163
flat angles P-C4'-P energy: -76.507
tors. eta vs tors. theta energy: -110.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1493.878935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.878935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.878935 (E_RNA)
where:
Base-Base interactions energy: -934.086
where: short stacking energy: -419.176
Base-Backbone interact. energy: -4.552
local terms energy: -555.240721
where:
bonds (distance) C4'-P energy: -132.333
bonds (distance) P-C4' energy: -114.661
flat angles C4'-P-C4' energy: -129.779
flat angles P-C4'-P energy: -72.495
tors. eta vs tors. theta energy: -105.973
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: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1176.470124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.470124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.470124 (E_RNA)
where:
Base-Base interactions energy: -706.907
where: short stacking energy: -342.664
Base-Backbone interact. energy: -3.301
local terms energy: -466.262308
where:
bonds (distance) C4'-P energy: -108.846
bonds (distance) P-C4' energy: -113.405
flat angles C4'-P-C4' energy: -110.711
flat angles P-C4'-P energy: -71.497
tors. eta vs tors. theta energy: -61.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1202.521678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.521678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.521678 (E_RNA)
where:
Base-Base interactions energy: -724.837
where: short stacking energy: -382.687
Base-Backbone interact. energy: -2.378
local terms energy: -475.306983
where:
bonds (distance) C4'-P energy: -118.067
bonds (distance) P-C4' energy: -122.753
flat angles C4'-P-C4' energy: -102.314
flat angles P-C4'-P energy: -66.695
tors. eta vs tors. theta energy: -65.479
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: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -861.218607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.218607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.218607 (E_RNA)
where:
Base-Base interactions energy: -418.681
where: short stacking energy: -268.911
Base-Backbone interact. energy: -3.022
local terms energy: -439.515945
where:
bonds (distance) C4'-P energy: -118.007
bonds (distance) P-C4' energy: -94.841
flat angles C4'-P-C4' energy: -125.096
flat angles P-C4'-P energy: -67.540
tors. eta vs tors. theta energy: -34.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -740.972661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.972661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.972661 (E_RNA)
where:
Base-Base interactions energy: -361.576
where: short stacking energy: -224.400
Base-Backbone interact. energy: 2.370
local terms energy: -381.766176
where:
bonds (distance) C4'-P energy: -104.070
bonds (distance) P-C4' energy: -120.218
flat angles C4'-P-C4' energy: -83.610
flat angles P-C4'-P energy: -63.870
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -552.453875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.453875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.453875 (E_RNA)
where:
Base-Base interactions energy: -201.373
where: short stacking energy: -178.481
Base-Backbone interact. energy: -2.740
local terms energy: -348.340758
where:
bonds (distance) C4'-P energy: -100.658
bonds (distance) P-C4' energy: -111.216
flat angles C4'-P-C4' energy: -90.955
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: 2.386
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: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -732.216017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.216017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.216017 (E_RNA)
where:
Base-Base interactions energy: -360.252
where: short stacking energy: -226.494
Base-Backbone interact. energy: -1.052
local terms energy: -370.912034
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -91.162
flat angles C4'-P-C4' energy: -85.030
flat angles P-C4'-P energy: -50.671
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -507.185413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.185413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.185413 (E_RNA)
where:
Base-Base interactions energy: -184.715
where: short stacking energy: -168.889
Base-Backbone interact. energy: 4.538
local terms energy: -327.008346
where:
bonds (distance) C4'-P energy: -89.180
bonds (distance) P-C4' energy: -103.371
flat angles C4'-P-C4' energy: -83.745
flat angles P-C4'-P energy: -54.661
tors. eta vs tors. theta energy: 3.948
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: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1773.856913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.856913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.856913 (E_RNA)
where:
Base-Base interactions energy: -1160.866
where: short stacking energy: -553.077
Base-Backbone interact. energy: 1.518
local terms energy: -614.508971
where:
bonds (distance) C4'-P energy: -131.105
bonds (distance) P-C4' energy: -129.110
flat angles C4'-P-C4' energy: -120.394
flat angles P-C4'-P energy: -82.014
tors. eta vs tors. theta energy: -151.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1571.220209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.220209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.220209 (E_RNA)
where:
Base-Base interactions energy: -1004.031
where: short stacking energy: -474.946
Base-Backbone interact. energy: -2.123
local terms energy: -565.065954
where:
bonds (distance) C4'-P energy: -115.922
bonds (distance) P-C4' energy: -115.209
flat angles C4'-P-C4' energy: -133.472
flat angles P-C4'-P energy: -90.460
tors. eta vs tors. theta energy: -110.004
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: 19
Temperature: 1.000000
Total energy: -1421.011501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.011501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.011501 (E_RNA)
where:
Base-Base interactions energy: -871.323
where: short stacking energy: -423.076
Base-Backbone interact. energy: -1.434
local terms energy: -548.254376
where:
bonds (distance) C4'-P energy: -121.001
bonds (distance) P-C4' energy: -132.793
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -79.866
tors. eta vs tors. theta energy: -108.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1260.650936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.650936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.650936 (E_RNA)
where:
Base-Base interactions energy: -747.092
where: short stacking energy: -389.017
Base-Backbone interact. energy: -2.855
local terms energy: -510.703617
where:
bonds (distance) C4'-P energy: -113.123
bonds (distance) P-C4' energy: -136.983
flat angles C4'-P-C4' energy: -117.326
flat angles P-C4'-P energy: -63.062
tors. eta vs tors. theta energy: -80.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1133.056304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.056304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.056304 (E_RNA)
where:
Base-Base interactions energy: -673.078
where: short stacking energy: -331.849
Base-Backbone interact. energy: -1.186
local terms energy: -458.792581
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -104.278
flat angles C4'-P-C4' energy: -114.358
flat angles P-C4'-P energy: -79.092
tors. eta vs tors. theta energy: -57.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -940.530087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.530087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.530087 (E_RNA)
where:
Base-Base interactions energy: -479.092
where: short stacking energy: -294.859
Base-Backbone interact. energy: -1.156
local terms energy: -460.282519
where:
bonds (distance) C4'-P energy: -119.592
bonds (distance) P-C4' energy: -123.111
flat angles C4'-P-C4' energy: -86.920
flat angles P-C4'-P energy: -72.747
tors. eta vs tors. theta energy: -57.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -756.545188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.545188 (E_RNA)
where:
Base-Base interactions energy: -370.152
where: short stacking energy: -237.195
Base-Backbone interact. energy: -1.786
local terms energy: -384.606973
where:
bonds (distance) C4'-P energy: -111.505
bonds (distance) P-C4' energy: -107.975
flat angles C4'-P-C4' energy: -82.140
flat angles P-C4'-P energy: -66.241
tors. eta vs tors. theta energy: -16.746
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: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -769.069743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.069743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.069743 (E_RNA)
where:
Base-Base interactions energy: -386.363
where: short stacking energy: -238.203
Base-Backbone interact. energy: -0.306
local terms energy: -382.400479
where:
bonds (distance) C4'-P energy: -93.575
bonds (distance) P-C4' energy: -115.861
flat angles C4'-P-C4' energy: -107.912
flat angles P-C4'-P energy: -43.397
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -511.529917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.529917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.529917 (E_RNA)
where:
Base-Base interactions energy: -196.686
where: short stacking energy: -147.653
Base-Backbone interact. energy: 8.115
local terms energy: -322.959542
where:
bonds (distance) C4'-P energy: -97.318
bonds (distance) P-C4' energy: -111.711
flat angles C4'-P-C4' energy: -88.606
flat angles P-C4'-P energy: -40.498
tors. eta vs tors. theta energy: 15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -477.715393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.715393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.715393 (E_RNA)
where:
Base-Base interactions energy: -150.702
where: short stacking energy: -138.435
Base-Backbone interact. energy: 3.988
local terms energy: -331.001259
where:
bonds (distance) C4'-P energy: -108.884
bonds (distance) P-C4' energy: -110.255
flat angles C4'-P-C4' energy: -65.210
flat angles P-C4'-P energy: -69.575
tors. eta vs tors. theta energy: 22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1793.894841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.894841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.894841 (E_RNA)
where:
Base-Base interactions energy: -1164.719
where: short stacking energy: -560.453
Base-Backbone interact. energy: -2.388
local terms energy: -626.787210
where:
bonds (distance) C4'-P energy: -115.919
bonds (distance) P-C4' energy: -128.314
flat angles C4'-P-C4' energy: -134.231
flat angles P-C4'-P energy: -90.233
tors. eta vs tors. theta energy: -158.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1632.447185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.447185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.447185 (E_RNA)
where:
Base-Base interactions energy: -1031.130
where: short stacking energy: -526.714
Base-Backbone interact. energy: -3.361
local terms energy: -597.956203
where:
bonds (distance) C4'-P energy: -111.563
bonds (distance) P-C4' energy: -127.207
flat angles C4'-P-C4' energy: -136.968
flat angles P-C4'-P energy: -87.914
tors. eta vs tors. theta energy: -134.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1419.380289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.380289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.380289 (E_RNA)
where:
Base-Base interactions energy: -869.332
where: short stacking energy: -422.246
Base-Backbone interact. energy: -2.791
local terms energy: -547.257392
where:
bonds (distance) C4'-P energy: -109.006
bonds (distance) P-C4' energy: -127.597
flat angles C4'-P-C4' energy: -129.501
flat angles P-C4'-P energy: -69.770
tors. eta vs tors. theta energy: -111.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1301.088293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.088293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.088293 (E_RNA)
where:
Base-Base interactions energy: -764.773
where: short stacking energy: -404.136
Base-Backbone interact. energy: -0.699
local terms energy: -535.616563
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -131.183
flat angles C4'-P-C4' energy: -126.644
flat angles P-C4'-P energy: -71.875
tors. eta vs tors. theta energy: -85.105
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: 20
Temperature: 1.100000
Total energy: -1097.792057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.792057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.792057 (E_RNA)
where:
Base-Base interactions energy: -615.614
where: short stacking energy: -348.010
Base-Backbone interact. energy: 0.938
local terms energy: -483.115752
where:
bonds (distance) C4'-P energy: -113.744
bonds (distance) P-C4' energy: -111.347
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -59.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -943.533906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.533906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.533906 (E_RNA)
where:
Base-Base interactions energy: -473.616
where: short stacking energy: -263.787
Base-Backbone interact. energy: 4.478
local terms energy: -474.396081
where:
bonds (distance) C4'-P energy: -119.907
bonds (distance) P-C4' energy: -121.199
flat angles C4'-P-C4' energy: -112.018
flat angles P-C4'-P energy: -81.209
tors. eta vs tors. theta energy: -40.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -879.335704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.335704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.335704 (E_RNA)
where:
Base-Base interactions energy: -473.692
where: short stacking energy: -248.661
Base-Backbone interact. energy: -0.610
local terms energy: -405.033871
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -121.179
flat angles C4'-P-C4' energy: -105.812
flat angles P-C4'-P energy: -51.078
tors. eta vs tors. theta energy: -17.772
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: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -732.131737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.131737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.131737 (E_RNA)
where:
Base-Base interactions energy: -350.714
where: short stacking energy: -231.051
Base-Backbone interact. energy: -0.880
local terms energy: -380.538033
where:
bonds (distance) C4'-P energy: -94.287
bonds (distance) P-C4' energy: -112.675
flat angles C4'-P-C4' energy: -108.916
flat angles P-C4'-P energy: -52.882
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -504.272781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.272781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.272781 (E_RNA)
where:
Base-Base interactions energy: -173.723
where: short stacking energy: -139.233
Base-Backbone interact. energy: 3.446
local terms energy: -333.995321
where:
bonds (distance) C4'-P energy: -94.388
bonds (distance) P-C4' energy: -115.777
flat angles C4'-P-C4' energy: -76.966
flat angles P-C4'-P energy: -68.188
tors. eta vs tors. theta energy: 21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -547.115781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.115781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.115781 (E_RNA)
where:
Base-Base interactions energy: -216.248
where: short stacking energy: -135.628
Base-Backbone interact. energy: -0.648
local terms energy: -330.219825
where:
bonds (distance) C4'-P energy: -80.535
bonds (distance) P-C4' energy: -106.847
flat angles C4'-P-C4' energy: -95.267
flat angles P-C4'-P energy: -72.858
tors. eta vs tors. theta energy: 25.287
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: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1809.123369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.123369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.123369 (E_RNA)
where:
Base-Base interactions energy: -1189.733
where: short stacking energy: -587.319
Base-Backbone interact. energy: -3.572
local terms energy: -615.818287
where:
bonds (distance) C4'-P energy: -117.352
bonds (distance) P-C4' energy: -118.285
flat angles C4'-P-C4' energy: -125.163
flat angles P-C4'-P energy: -99.809
tors. eta vs tors. theta energy: -155.209
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: 6
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1634.095846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.095846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.095846 (E_RNA)
where:
Base-Base interactions energy: -1034.510
where: short stacking energy: -506.850
Base-Backbone interact. energy: -1.977
local terms energy: -597.609006
where:
bonds (distance) C4'-P energy: -120.293
bonds (distance) P-C4' energy: -122.655
flat angles C4'-P-C4' energy: -132.119
flat angles P-C4'-P energy: -89.734
tors. eta vs tors. theta energy: -132.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1446.623984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.623984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.623984 (E_RNA)
where:
Base-Base interactions energy: -899.060
where: short stacking energy: -427.140
Base-Backbone interact. energy: -2.954
local terms energy: -544.609640
where:
bonds (distance) C4'-P energy: -128.578
bonds (distance) P-C4' energy: -128.117
flat angles C4'-P-C4' energy: -122.577
flat angles P-C4'-P energy: -67.434
tors. eta vs tors. theta energy: -97.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1271.728131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.728131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.728131 (E_RNA)
where:
Base-Base interactions energy: -752.932
where: short stacking energy: -373.418
Base-Backbone interact. energy: -3.829
local terms energy: -514.966976
where:
bonds (distance) C4'-P energy: -111.966
bonds (distance) P-C4' energy: -129.653
flat angles C4'-P-C4' energy: -122.711
flat angles P-C4'-P energy: -80.464
tors. eta vs tors. theta energy: -70.173
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: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1183.923434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.923434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.923434 (E_RNA)
where:
Base-Base interactions energy: -696.741
where: short stacking energy: -346.555
Base-Backbone interact. energy: -1.069
local terms energy: -486.113415
where:
bonds (distance) C4'-P energy: -109.615
bonds (distance) P-C4' energy: -123.513
flat angles C4'-P-C4' energy: -99.426
flat angles P-C4'-P energy: -64.298
tors. eta vs tors. theta energy: -89.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1033.687528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.687528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.687528 (E_RNA)
where:
Base-Base interactions energy: -565.741
where: short stacking energy: -290.928
Base-Backbone interact. energy: -2.184
local terms energy: -465.762911
where:
bonds (distance) C4'-P energy: -110.827
bonds (distance) P-C4' energy: -113.972
flat angles C4'-P-C4' energy: -114.228
flat angles P-C4'-P energy: -71.551
tors. eta vs tors. theta energy: -55.185
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: 8
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -915.034725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.034725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.034725 (E_RNA)
where:
Base-Base interactions energy: -516.298
where: short stacking energy: -266.200
Base-Backbone interact. energy: 1.445
local terms energy: -400.181935
where:
bonds (distance) C4'-P energy: -123.594
bonds (distance) P-C4' energy: -92.357
flat angles C4'-P-C4' energy: -96.498
flat angles P-C4'-P energy: -67.248
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -814.501914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.501914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.501914 (E_RNA)
where:
Base-Base interactions energy: -444.774
where: short stacking energy: -242.398
Base-Backbone interact. energy: 2.833
local terms energy: -372.560937
where:
bonds (distance) C4'-P energy: -74.574
bonds (distance) P-C4' energy: -103.390
flat angles C4'-P-C4' energy: -113.613
flat angles P-C4'-P energy: -54.491
tors. eta vs tors. theta energy: -26.491
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: 2
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -548.022214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.022214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.022214 (E_RNA)
where:
Base-Base interactions energy: -203.769
where: short stacking energy: -181.882
Base-Backbone interact. energy: -1.147
local terms energy: -343.106551
where:
bonds (distance) C4'-P energy: -95.102
bonds (distance) P-C4' energy: -94.073
flat angles C4'-P-C4' energy: -90.251
flat angles P-C4'-P energy: -58.827
tors. eta vs tors. theta energy: -4.853
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: 5
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -503.009136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.009136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.009136 (E_RNA)
where:
Base-Base interactions energy: -172.552
where: short stacking energy: -133.895
Base-Backbone interact. energy: 8.962
local terms energy: -339.419475
where:
bonds (distance) C4'-P energy: -114.873
bonds (distance) P-C4' energy: -103.362
flat angles C4'-P-C4' energy: -92.411
flat angles P-C4'-P energy: -58.031
tors. eta vs tors. theta energy: 29.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1791.470337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.470337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.470337 (E_RNA)
where:
Base-Base interactions energy: -1159.158
where: short stacking energy: -548.577
Base-Backbone interact. energy: -3.644
local terms energy: -628.668016
where:
bonds (distance) C4'-P energy: -120.591
bonds (distance) P-C4' energy: -126.849
flat angles C4'-P-C4' energy: -143.434
flat angles P-C4'-P energy: -97.055
tors. eta vs tors. theta energy: -140.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1649.838889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.838889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.838889 (E_RNA)
where:
Base-Base interactions energy: -1061.451
where: short stacking energy: -508.767
Base-Backbone interact. energy: -0.652
local terms energy: -587.735975
where:
bonds (distance) C4'-P energy: -113.730
bonds (distance) P-C4' energy: -129.516
flat angles C4'-P-C4' energy: -122.287
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -135.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1428.290033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.290033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.290033 (E_RNA)
where:
Base-Base interactions energy: -863.186
where: short stacking energy: -419.553
Base-Backbone interact. energy: -0.679
local terms energy: -564.425041
where:
bonds (distance) C4'-P energy: -115.166
bonds (distance) P-C4' energy: -128.279
flat angles C4'-P-C4' energy: -129.801
flat angles P-C4'-P energy: -84.629
tors. eta vs tors. theta energy: -106.550
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: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1319.074457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.074457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.074457 (E_RNA)
where:
Base-Base interactions energy: -816.188
where: short stacking energy: -388.404
Base-Backbone interact. energy: -1.455
local terms energy: -501.431344
where:
bonds (distance) C4'-P energy: -110.849
bonds (distance) P-C4' energy: -121.340
flat angles C4'-P-C4' energy: -124.291
flat angles P-C4'-P energy: -69.047
tors. eta vs tors. theta energy: -75.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1302.272471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.272471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.272471 (E_RNA)
where:
Base-Base interactions energy: -828.535
where: short stacking energy: -384.981
Base-Backbone interact. energy: -2.761
local terms energy: -470.976750
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -111.149
flat angles C4'-P-C4' energy: -97.814
flat angles P-C4'-P energy: -64.926
tors. eta vs tors. theta energy: -99.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1172.350339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.350339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.350339 (E_RNA)
where:
Base-Base interactions energy: -675.410
where: short stacking energy: -356.328
Base-Backbone interact. energy: -2.791
local terms energy: -494.149779
where:
bonds (distance) C4'-P energy: -115.716
bonds (distance) P-C4' energy: -121.127
flat angles C4'-P-C4' energy: -106.125
flat angles P-C4'-P energy: -75.059
tors. eta vs tors. theta energy: -76.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -985.422144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.422144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.422144 (E_RNA)
where:
Base-Base interactions energy: -563.925
where: short stacking energy: -314.462
Base-Backbone interact. energy: -2.649
local terms energy: -418.848519
where:
bonds (distance) C4'-P energy: -100.925
bonds (distance) P-C4' energy: -110.029
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: -35.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -754.661339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.661339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.661339 (E_RNA)
where:
Base-Base interactions energy: -375.856
where: short stacking energy: -212.371
Base-Backbone interact. energy: 2.977
local terms energy: -381.781944
where:
bonds (distance) C4'-P energy: -107.329
bonds (distance) P-C4' energy: -108.635
flat angles C4'-P-C4' energy: -106.106
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: 1.744
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: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -557.834942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.834942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.834942 (E_RNA)
where:
Base-Base interactions energy: -212.058
where: short stacking energy: -181.820
Base-Backbone interact. energy: -1.926
local terms energy: -343.850223
where:
bonds (distance) C4'-P energy: -96.446
bonds (distance) P-C4' energy: -116.816
flat angles C4'-P-C4' energy: -86.025
flat angles P-C4'-P energy: -41.730
tors. eta vs tors. theta energy: -2.832
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: 2
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -509.480373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.480373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.480373 (E_RNA)
where:
Base-Base interactions energy: -192.503
where: short stacking energy: -148.562
Base-Backbone interact. energy: -0.491
local terms energy: -316.486782
where:
bonds (distance) C4'-P energy: -91.069
bonds (distance) P-C4' energy: -99.325
flat angles C4'-P-C4' energy: -92.746
flat angles P-C4'-P energy: -55.281
tors. eta vs tors. theta energy: 21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1835.835664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.835664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.835664 (E_RNA)
where:
Base-Base interactions energy: -1202.696
where: short stacking energy: -590.275
Base-Backbone interact. energy: -5.781
local terms energy: -627.359139
where:
bonds (distance) C4'-P energy: -126.320
bonds (distance) P-C4' energy: -111.853
flat angles C4'-P-C4' energy: -143.019
flat angles P-C4'-P energy: -79.118
tors. eta vs tors. theta energy: -167.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1602.579294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.579294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.579294 (E_RNA)
where:
Base-Base interactions energy: -1019.175
where: short stacking energy: -526.103
Base-Backbone interact. energy: -2.774
local terms energy: -580.630037
where:
bonds (distance) C4'-P energy: -111.348
bonds (distance) P-C4' energy: -125.739
flat angles C4'-P-C4' energy: -131.694
flat angles P-C4'-P energy: -78.147
tors. eta vs tors. theta energy: -133.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1453.958244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.958244 (E_RNA)
where:
Base-Base interactions energy: -901.777
where: short stacking energy: -456.517
Base-Backbone interact. energy: -0.476
local terms energy: -551.704643
where:
bonds (distance) C4'-P energy: -111.998
bonds (distance) P-C4' energy: -126.909
flat angles C4'-P-C4' energy: -119.430
flat angles P-C4'-P energy: -87.097
tors. eta vs tors. theta energy: -106.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1349.164514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.164514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.164514 (E_RNA)
where:
Base-Base interactions energy: -856.618
where: short stacking energy: -407.628
Base-Backbone interact. energy: -2.244
local terms energy: -490.301964
where:
bonds (distance) C4'-P energy: -109.454
bonds (distance) P-C4' energy: -102.835
flat angles C4'-P-C4' energy: -116.889
flat angles P-C4'-P energy: -66.260
tors. eta vs tors. theta energy: -94.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1260.125492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.125492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.125492 (E_RNA)
where:
Base-Base interactions energy: -797.056
where: short stacking energy: -370.661
Base-Backbone interact. energy: 0.866
local terms energy: -463.935162
where:
bonds (distance) C4'-P energy: -103.029
bonds (distance) P-C4' energy: -121.283
flat angles C4'-P-C4' energy: -107.495
flat angles P-C4'-P energy: -61.950
tors. eta vs tors. theta energy: -70.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1142.837962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.837962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.837962 (E_RNA)
where:
Base-Base interactions energy: -675.908
where: short stacking energy: -335.684
Base-Backbone interact. energy: -1.971
local terms energy: -464.958861
where:
bonds (distance) C4'-P energy: -112.639
bonds (distance) P-C4' energy: -116.391
flat angles C4'-P-C4' energy: -107.764
flat angles P-C4'-P energy: -66.331
tors. eta vs tors. theta energy: -61.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1010.671033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.671033 (E_RNA)
where:
Base-Base interactions energy: -587.345
where: short stacking energy: -311.030
Base-Backbone interact. energy: 0.352
local terms energy: -423.677856
where:
bonds (distance) C4'-P energy: -103.367
bonds (distance) P-C4' energy: -96.401
flat angles C4'-P-C4' energy: -111.813
flat angles P-C4'-P energy: -51.896
tors. eta vs tors. theta energy: -60.200
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -805.357479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.357479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.357479 (E_RNA)
where:
Base-Base interactions energy: -410.662
where: short stacking energy: -239.916
Base-Backbone interact. energy: 1.393
local terms energy: -396.088103
where:
bonds (distance) C4'-P energy: -98.095
bonds (distance) P-C4' energy: -108.652
flat angles C4'-P-C4' energy: -113.604
flat angles P-C4'-P energy: -49.714
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -607.015405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.015405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.015405 (E_RNA)
where:
Base-Base interactions energy: -279.924
where: short stacking energy: -163.669
Base-Backbone interact. energy: 6.210
local terms energy: -333.302267
where:
bonds (distance) C4'-P energy: -81.396
bonds (distance) P-C4' energy: -120.492
flat angles C4'-P-C4' energy: -94.829
flat angles P-C4'-P energy: -53.782
tors. eta vs tors. theta energy: 17.196
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: 2
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -521.119869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.119869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.119869 (E_RNA)
where:
Base-Base interactions energy: -182.828
where: short stacking energy: -124.264
Base-Backbone interact. energy: -0.283
local terms energy: -338.009655
where:
bonds (distance) C4'-P energy: -106.405
bonds (distance) P-C4' energy: -110.267
flat angles C4'-P-C4' energy: -108.311
flat angles P-C4'-P energy: -49.684
tors. eta vs tors. theta energy: 36.657
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: 4
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1886.627727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.627727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.627727 (E_RNA)
where:
Base-Base interactions energy: -1223.828
where: short stacking energy: -587.492
Base-Backbone interact. energy: -2.927
local terms energy: -659.872381
where:
bonds (distance) C4'-P energy: -138.067
bonds (distance) P-C4' energy: -127.244
flat angles C4'-P-C4' energy: -141.333
flat angles P-C4'-P energy: -90.941
tors. eta vs tors. theta energy: -162.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1613.592517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.592517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.592517 (E_RNA)
where:
Base-Base interactions energy: -1030.860
where: short stacking energy: -514.759
Base-Backbone interact. energy: -0.990
local terms energy: -581.742915
where:
bonds (distance) C4'-P energy: -120.284
bonds (distance) P-C4' energy: -121.505
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -81.653
tors. eta vs tors. theta energy: -132.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1501.871675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.871675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.871675 (E_RNA)
where:
Base-Base interactions energy: -944.953
where: short stacking energy: -458.784
Base-Backbone interact. energy: -0.875
local terms energy: -556.043899
where:
bonds (distance) C4'-P energy: -117.314
bonds (distance) P-C4' energy: -112.461
flat angles C4'-P-C4' energy: -118.277
flat angles P-C4'-P energy: -86.967
tors. eta vs tors. theta energy: -121.025
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: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1441.553023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.553023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.553023 (E_RNA)
where:
Base-Base interactions energy: -938.702
where: short stacking energy: -414.875
Base-Backbone interact. energy: 5.224
local terms energy: -508.074521
where:
bonds (distance) C4'-P energy: -112.004
bonds (distance) P-C4' energy: -105.705
flat angles C4'-P-C4' energy: -123.229
flat angles P-C4'-P energy: -70.186
tors. eta vs tors. theta energy: -96.950
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: 5, replica: 3
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1289.856099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.856099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.856099 (E_RNA)
where:
Base-Base interactions energy: -799.076
where: short stacking energy: -382.710
Base-Backbone interact. energy: -0.415
local terms energy: -490.365230
where:
bonds (distance) C4'-P energy: -106.026
bonds (distance) P-C4' energy: -100.480
flat angles C4'-P-C4' energy: -110.749
flat angles P-C4'-P energy: -79.186
tors. eta vs tors. theta energy: -93.924
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: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1202.214412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.214412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.214412 (E_RNA)
where:
Base-Base interactions energy: -725.408
where: short stacking energy: -370.477
Base-Backbone interact. energy: 3.799
local terms energy: -480.604850
where:
bonds (distance) C4'-P energy: -129.132
bonds (distance) P-C4' energy: -95.165
flat angles C4'-P-C4' energy: -107.731
flat angles P-C4'-P energy: -64.565
tors. eta vs tors. theta energy: -84.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1028.058814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.058814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.058814 (E_RNA)
where:
Base-Base interactions energy: -610.384
where: short stacking energy: -311.379
Base-Backbone interact. energy: -0.492
local terms energy: -417.182076
where:
bonds (distance) C4'-P energy: -106.801
bonds (distance) P-C4' energy: -106.778
flat angles C4'-P-C4' energy: -89.751
flat angles P-C4'-P energy: -67.974
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -784.150479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.150479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.150479 (E_RNA)
where:
Base-Base interactions energy: -423.475
where: short stacking energy: -239.650
Base-Backbone interact. energy: -1.108
local terms energy: -359.566842
where:
bonds (distance) C4'-P energy: -91.398
bonds (distance) P-C4' energy: -97.809
flat angles C4'-P-C4' energy: -96.216
flat angles P-C4'-P energy: -62.179
tors. eta vs tors. theta energy: -11.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -594.271252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.271252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.271252 (E_RNA)
where:
Base-Base interactions energy: -246.253
where: short stacking energy: -176.039
Base-Backbone interact. energy: -1.907
local terms energy: -346.111668
where:
bonds (distance) C4'-P energy: -86.998
bonds (distance) P-C4' energy: -109.343
flat angles C4'-P-C4' energy: -106.654
flat angles P-C4'-P energy: -50.627
tors. eta vs tors. theta energy: 7.510
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: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -472.675345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.675345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.675345 (E_RNA)
where:
Base-Base interactions energy: -170.193
where: short stacking energy: -132.453
Base-Backbone interact. energy: -2.804
local terms energy: -299.678336
where:
bonds (distance) C4'-P energy: -103.139
bonds (distance) P-C4' energy: -102.276
flat angles C4'-P-C4' energy: -76.048
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: 25.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1864.663422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.663422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.663422 (E_RNA)
where:
Base-Base interactions energy: -1227.187
where: short stacking energy: -578.193
Base-Backbone interact. energy: 2.167
local terms energy: -639.643128
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -131.447
flat angles C4'-P-C4' energy: -140.216
flat angles P-C4'-P energy: -96.471
tors. eta vs tors. theta energy: -147.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1623.518793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.518793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.518793 (E_RNA)
where:
Base-Base interactions energy: -1071.317
where: short stacking energy: -503.612
Base-Backbone interact. energy: 2.265
local terms energy: -554.467100
where:
bonds (distance) C4'-P energy: -105.160
bonds (distance) P-C4' energy: -118.647
flat angles C4'-P-C4' energy: -127.488
flat angles P-C4'-P energy: -76.330
tors. eta vs tors. theta energy: -126.842
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: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1518.827399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.827399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.827399 (E_RNA)
where:
Base-Base interactions energy: -948.845
where: short stacking energy: -467.038
Base-Backbone interact. energy: -0.097
local terms energy: -569.886318
where:
bonds (distance) C4'-P energy: -113.690
bonds (distance) P-C4' energy: -106.141
flat angles C4'-P-C4' energy: -136.958
flat angles P-C4'-P energy: -85.193
tors. eta vs tors. theta energy: -127.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1431.828492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.828492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.828492 (E_RNA)
where:
Base-Base interactions energy: -895.929
where: short stacking energy: -414.816
Base-Backbone interact. energy: -2.724
local terms energy: -533.175184
where:
bonds (distance) C4'-P energy: -106.690
bonds (distance) P-C4' energy: -124.843
flat angles C4'-P-C4' energy: -137.446
flat angles P-C4'-P energy: -83.454
tors. eta vs tors. theta energy: -80.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1291.673398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.673398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.673398 (E_RNA)
where:
Base-Base interactions energy: -811.995
where: short stacking energy: -360.254
Base-Backbone interact. energy: -0.198
local terms energy: -479.479846
where:
bonds (distance) C4'-P energy: -97.221
bonds (distance) P-C4' energy: -109.300
flat angles C4'-P-C4' energy: -125.360
flat angles P-C4'-P energy: -65.762
tors. eta vs tors. theta energy: -81.836
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: 1
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1233.546335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.546335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.546335 (E_RNA)
where:
Base-Base interactions energy: -755.340
where: short stacking energy: -377.180
Base-Backbone interact. energy: -3.294
local terms energy: -474.912259
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -107.374
flat angles C4'-P-C4' energy: -111.745
flat angles P-C4'-P energy: -58.673
tors. eta vs tors. theta energy: -93.061
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: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1089.077063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.077063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.077063 (E_RNA)
where:
Base-Base interactions energy: -657.655
where: short stacking energy: -314.074
Base-Backbone interact. energy: 1.017
local terms energy: -432.438922
where:
bonds (distance) C4'-P energy: -108.252
bonds (distance) P-C4' energy: -101.918
flat angles C4'-P-C4' energy: -118.783
flat angles P-C4'-P energy: -52.361
tors. eta vs tors. theta energy: -51.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -778.355474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.355474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.355474 (E_RNA)
where:
Base-Base interactions energy: -372.397
where: short stacking energy: -224.907
Base-Backbone interact. energy: -3.291
local terms energy: -402.666775
where:
bonds (distance) C4'-P energy: -107.188
bonds (distance) P-C4' energy: -121.871
flat angles C4'-P-C4' energy: -100.126
flat angles P-C4'-P energy: -73.125
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -581.609744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.609744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.609744 (E_RNA)
where:
Base-Base interactions energy: -242.954
where: short stacking energy: -174.142
Base-Backbone interact. energy: 7.819
local terms energy: -346.475324
where:
bonds (distance) C4'-P energy: -110.442
bonds (distance) P-C4' energy: -109.897
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -43.942
tors. eta vs tors. theta energy: 22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -490.354596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.354596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.354596 (E_RNA)
where:
Base-Base interactions energy: -173.517
where: short stacking energy: -122.713
Base-Backbone interact. energy: -0.690
local terms energy: -316.147632
where:
bonds (distance) C4'-P energy: -105.812
bonds (distance) P-C4' energy: -107.965
flat angles C4'-P-C4' energy: -100.721
flat angles P-C4'-P energy: -34.811
tors. eta vs tors. theta energy: 33.160
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: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1843.014174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.014174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.014174 (E_RNA)
where:
Base-Base interactions energy: -1221.462
where: short stacking energy: -559.375
Base-Backbone interact. energy: -3.462
local terms energy: -618.089860
where:
bonds (distance) C4'-P energy: -124.139
bonds (distance) P-C4' energy: -119.006
flat angles C4'-P-C4' energy: -135.387
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -145.072
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1631.099122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.099122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.099122 (E_RNA)
where:
Base-Base interactions energy: -1055.785
where: short stacking energy: -512.732
Base-Backbone interact. energy: -5.195
local terms energy: -570.119142
where:
bonds (distance) C4'-P energy: -119.594
bonds (distance) P-C4' energy: -115.235
flat angles C4'-P-C4' energy: -117.335
flat angles P-C4'-P energy: -91.831
tors. eta vs tors. theta energy: -126.124
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: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1504.852986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.852986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.852986 (E_RNA)
where:
Base-Base interactions energy: -931.039
where: short stacking energy: -458.761
Base-Backbone interact. energy: -0.385
local terms energy: -573.428663
where:
bonds (distance) C4'-P energy: -114.960
bonds (distance) P-C4' energy: -114.406
flat angles C4'-P-C4' energy: -133.601
flat angles P-C4'-P energy: -91.417
tors. eta vs tors. theta energy: -119.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1435.930640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.930640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.930640 (E_RNA)
where:
Base-Base interactions energy: -909.193
where: short stacking energy: -386.264
Base-Backbone interact. energy: -4.587
local terms energy: -522.149724
where:
bonds (distance) C4'-P energy: -116.945
bonds (distance) P-C4' energy: -126.221
flat angles C4'-P-C4' energy: -131.811
flat angles P-C4'-P energy: -76.243
tors. eta vs tors. theta energy: -70.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1349.997577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.997577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.997577 (E_RNA)
where:
Base-Base interactions energy: -800.817
where: short stacking energy: -401.484
Base-Backbone interact. energy: -2.321
local terms energy: -546.859497
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -135.695
flat angles P-C4'-P energy: -89.705
tors. eta vs tors. theta energy: -96.132
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: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1246.571061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.571061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.571061 (E_RNA)
where:
Base-Base interactions energy: -791.487
where: short stacking energy: -344.048
Base-Backbone interact. energy: -2.144
local terms energy: -452.940070
where:
bonds (distance) C4'-P energy: -115.009
bonds (distance) P-C4' energy: -96.912
flat angles C4'-P-C4' energy: -120.391
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -73.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1100.407957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.407957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.407957 (E_RNA)
where:
Base-Base interactions energy: -657.132
where: short stacking energy: -341.235
Base-Backbone interact. energy: -0.676
local terms energy: -442.600098
where:
bonds (distance) C4'-P energy: -101.027
bonds (distance) P-C4' energy: -110.658
flat angles C4'-P-C4' energy: -103.678
flat angles P-C4'-P energy: -56.717
tors. eta vs tors. theta energy: -70.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -784.093741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.093741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.093741 (E_RNA)
where:
Base-Base interactions energy: -423.043
where: short stacking energy: -223.874
Base-Backbone interact. energy: -3.501
local terms energy: -357.549844
where:
bonds (distance) C4'-P energy: -93.341
bonds (distance) P-C4' energy: -116.821
flat angles C4'-P-C4' energy: -88.163
flat angles P-C4'-P energy: -52.679
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -526.922157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.922157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.922157 (E_RNA)
where:
Base-Base interactions energy: -220.909
where: short stacking energy: -161.004
Base-Backbone interact. energy: 4.673
local terms energy: -310.687071
where:
bonds (distance) C4'-P energy: -92.810
bonds (distance) P-C4' energy: -112.380
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: 36.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -475.876728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.876728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.876728 (E_RNA)
where:
Base-Base interactions energy: -185.756
where: short stacking energy: -118.725
Base-Backbone interact. energy: 7.216
local terms energy: -297.336392
where:
bonds (distance) C4'-P energy: -106.196
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -76.868
flat angles P-C4'-P energy: -45.810
tors. eta vs tors. theta energy: 36.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1839.724731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.724731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.724731 (E_RNA)
where:
Base-Base interactions energy: -1253.093
where: short stacking energy: -569.997
Base-Backbone interact. energy: -0.230
local terms energy: -586.401664
where:
bonds (distance) C4'-P energy: -108.140
bonds (distance) P-C4' energy: -129.648
flat angles C4'-P-C4' energy: -128.030
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -140.686
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: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1716.513843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.513843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.513843 (E_RNA)
where:
Base-Base interactions energy: -1142.084
where: short stacking energy: -543.976
Base-Backbone interact. energy: -2.623
local terms energy: -571.807027
where:
bonds (distance) C4'-P energy: -119.215
bonds (distance) P-C4' energy: -124.910
flat angles C4'-P-C4' energy: -133.918
flat angles P-C4'-P energy: -57.067
tors. eta vs tors. theta energy: -136.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1509.258552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.258552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.258552 (E_RNA)
where:
Base-Base interactions energy: -927.333
where: short stacking energy: -455.512
Base-Backbone interact. energy: -3.587
local terms energy: -578.337839
where:
bonds (distance) C4'-P energy: -132.483
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -132.520
flat angles P-C4'-P energy: -69.522
tors. eta vs tors. theta energy: -114.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1424.576841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.576841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.576841 (E_RNA)
where:
Base-Base interactions energy: -915.244
where: short stacking energy: -426.931
Base-Backbone interact. energy: -2.912
local terms energy: -506.421426
where:
bonds (distance) C4'-P energy: -109.644
bonds (distance) P-C4' energy: -116.011
flat angles C4'-P-C4' energy: -120.244
flat angles P-C4'-P energy: -73.440
tors. eta vs tors. theta energy: -87.082
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: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1351.148628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.148628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.148628 (E_RNA)
where:
Base-Base interactions energy: -833.374
where: short stacking energy: -438.478
Base-Backbone interact. energy: -2.651
local terms energy: -515.123989
where:
bonds (distance) C4'-P energy: -104.086
bonds (distance) P-C4' energy: -112.752
flat angles C4'-P-C4' energy: -126.800
flat angles P-C4'-P energy: -62.849
tors. eta vs tors. theta energy: -108.636
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: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1231.882946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.882946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.882946 (E_RNA)
where:
Base-Base interactions energy: -760.820
where: short stacking energy: -349.493
Base-Backbone interact. energy: -2.093
local terms energy: -468.970304
where:
bonds (distance) C4'-P energy: -105.789
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -118.652
flat angles P-C4'-P energy: -62.329
tors. eta vs tors. theta energy: -73.095
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: 27
Temperature: 1.200000
Total energy: -1053.780641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.780641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.780641 (E_RNA)
where:
Base-Base interactions energy: -643.696
where: short stacking energy: -322.089
Base-Backbone interact. energy: 2.048
local terms energy: -412.132344
where:
bonds (distance) C4'-P energy: -112.709
bonds (distance) P-C4' energy: -100.556
flat angles C4'-P-C4' energy: -88.563
flat angles P-C4'-P energy: -60.596
tors. eta vs tors. theta energy: -49.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -815.462795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.462795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.462795 (E_RNA)
where:
Base-Base interactions energy: -431.434
where: short stacking energy: -248.046
Base-Backbone interact. energy: -0.221
local terms energy: -383.807781
where:
bonds (distance) C4'-P energy: -105.910
bonds (distance) P-C4' energy: -118.626
flat angles C4'-P-C4' energy: -84.427
flat angles P-C4'-P energy: -61.805
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -534.415545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.415545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.415545 (E_RNA)
where:
Base-Base interactions energy: -192.981
where: short stacking energy: -145.292
Base-Backbone interact. energy: 1.034
local terms energy: -342.468169
where:
bonds (distance) C4'-P energy: -110.900
bonds (distance) P-C4' energy: -97.399
flat angles C4'-P-C4' energy: -94.913
flat angles P-C4'-P energy: -52.204
tors. eta vs tors. theta energy: 12.948
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: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -506.516928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.516928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.516928 (E_RNA)
where:
Base-Base interactions energy: -183.612
where: short stacking energy: -146.042
Base-Backbone interact. energy: -0.042
local terms energy: -322.863088
where:
bonds (distance) C4'-P energy: -96.433
bonds (distance) P-C4' energy: -104.612
flat angles C4'-P-C4' energy: -84.373
flat angles P-C4'-P energy: -57.887
tors. eta vs tors. theta energy: 20.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1862.919446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.919446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.919446 (E_RNA)
where:
Base-Base interactions energy: -1246.415
where: short stacking energy: -554.490
Base-Backbone interact. energy: 0.300
local terms energy: -616.804537
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -119.550
flat angles C4'-P-C4' energy: -140.823
flat angles P-C4'-P energy: -100.379
tors. eta vs tors. theta energy: -140.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1678.576049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.576049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.576049 (E_RNA)
where:
Base-Base interactions energy: -1086.129
where: short stacking energy: -506.353
Base-Backbone interact. energy: -5.206
local terms energy: -587.241246
where:
bonds (distance) C4'-P energy: -118.716
bonds (distance) P-C4' energy: -120.151
flat angles C4'-P-C4' energy: -128.238
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -132.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1561.539676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.539676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.539676 (E_RNA)
where:
Base-Base interactions energy: -1013.658
where: short stacking energy: -472.971
Base-Backbone interact. energy: -2.200
local terms energy: -545.681500
where:
bonds (distance) C4'-P energy: -116.490
bonds (distance) P-C4' energy: -116.659
flat angles C4'-P-C4' energy: -117.708
flat angles P-C4'-P energy: -78.740
tors. eta vs tors. theta energy: -116.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1509.383653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.383653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.383653 (E_RNA)
where:
Base-Base interactions energy: -965.862
where: short stacking energy: -425.220
Base-Backbone interact. energy: -1.746
local terms energy: -541.775376
where:
bonds (distance) C4'-P energy: -109.966
bonds (distance) P-C4' energy: -118.976
flat angles C4'-P-C4' energy: -132.221
flat angles P-C4'-P energy: -67.476
tors. eta vs tors. theta energy: -113.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1359.229079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.229079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.229079 (E_RNA)
where:
Base-Base interactions energy: -835.188
where: short stacking energy: -421.922
Base-Backbone interact. energy: -1.760
local terms energy: -522.281023
where:
bonds (distance) C4'-P energy: -95.965
bonds (distance) P-C4' energy: -123.832
flat angles C4'-P-C4' energy: -110.110
flat angles P-C4'-P energy: -81.526
tors. eta vs tors. theta energy: -110.848
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: 28
Temperature: 1.150000
Total energy: -1164.015106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.015106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.015106 (E_RNA)
where:
Base-Base interactions energy: -693.616
where: short stacking energy: -355.216
Base-Backbone interact. energy: -0.259
local terms energy: -470.140078
where:
bonds (distance) C4'-P energy: -103.435
bonds (distance) P-C4' energy: -97.122
flat angles C4'-P-C4' energy: -122.254
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -77.162
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1130.844345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.844345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.844345 (E_RNA)
where:
Base-Base interactions energy: -673.781
where: short stacking energy: -349.258
Base-Backbone interact. energy: -1.132
local terms energy: -455.931671
where:
bonds (distance) C4'-P energy: -110.446
bonds (distance) P-C4' energy: -107.318
flat angles C4'-P-C4' energy: -98.434
flat angles P-C4'-P energy: -62.720
tors. eta vs tors. theta energy: -77.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -762.136889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.136889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.136889 (E_RNA)
where:
Base-Base interactions energy: -397.869
where: short stacking energy: -219.807
Base-Backbone interact. energy: 0.595
local terms energy: -364.862801
where:
bonds (distance) C4'-P energy: -77.609
bonds (distance) P-C4' energy: -118.163
flat angles C4'-P-C4' energy: -100.764
flat angles P-C4'-P energy: -68.241
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -561.547569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.547569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.547569 (E_RNA)
where:
Base-Base interactions energy: -239.763
where: short stacking energy: -169.657
Base-Backbone interact. energy: -0.082
local terms energy: -321.702280
where:
bonds (distance) C4'-P energy: -93.417
bonds (distance) P-C4' energy: -102.012
flat angles C4'-P-C4' energy: -96.262
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: 14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -472.809651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.809651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.809651 (E_RNA)
where:
Base-Base interactions energy: -179.320
where: short stacking energy: -124.480
Base-Backbone interact. energy: 2.615
local terms energy: -296.104031
where:
bonds (distance) C4'-P energy: -87.967
bonds (distance) P-C4' energy: -113.587
flat angles C4'-P-C4' energy: -77.760
flat angles P-C4'-P energy: -47.249
tors. eta vs tors. theta energy: 30.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1853.357448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.357448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.357448 (E_RNA)
where:
Base-Base interactions energy: -1218.989
where: short stacking energy: -565.425
Base-Backbone interact. energy: -0.581
local terms energy: -633.787130
where:
bonds (distance) C4'-P energy: -125.294
bonds (distance) P-C4' energy: -128.721
flat angles C4'-P-C4' energy: -122.868
flat angles P-C4'-P energy: -99.980
tors. eta vs tors. theta energy: -156.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1686.992912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.992912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.992912 (E_RNA)
where:
Base-Base interactions energy: -1101.638
where: short stacking energy: -500.128
Base-Backbone interact. energy: -0.674
local terms energy: -584.681536
where:
bonds (distance) C4'-P energy: -110.263
bonds (distance) P-C4' energy: -119.590
flat angles C4'-P-C4' energy: -130.917
flat angles P-C4'-P energy: -90.796
tors. eta vs tors. theta energy: -133.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1604.432415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.432415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.432415 (E_RNA)
where:
Base-Base interactions energy: -1037.143
where: short stacking energy: -455.164
Base-Backbone interact. energy: 0.998
local terms energy: -568.287853
where:
bonds (distance) C4'-P energy: -122.639
bonds (distance) P-C4' energy: -125.485
flat angles C4'-P-C4' energy: -126.017
flat angles P-C4'-P energy: -70.589
tors. eta vs tors. theta energy: -123.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1467.624679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.624679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.624679 (E_RNA)
where:
Base-Base interactions energy: -935.410
where: short stacking energy: -440.626
Base-Backbone interact. energy: -1.705
local terms energy: -530.508822
where:
bonds (distance) C4'-P energy: -116.266
bonds (distance) P-C4' energy: -121.168
flat angles C4'-P-C4' energy: -111.016
flat angles P-C4'-P energy: -83.917
tors. eta vs tors. theta energy: -98.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1315.286501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.286501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.286501 (E_RNA)
where:
Base-Base interactions energy: -809.975
where: short stacking energy: -384.337
Base-Backbone interact. energy: -2.719
local terms energy: -502.592345
where:
bonds (distance) C4'-P energy: -107.175
bonds (distance) P-C4' energy: -106.042
flat angles C4'-P-C4' energy: -122.634
flat angles P-C4'-P energy: -84.321
tors. eta vs tors. theta energy: -82.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1187.516890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.516890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.516890 (E_RNA)
where:
Base-Base interactions energy: -703.737
where: short stacking energy: -341.502
Base-Backbone interact. energy: -1.978
local terms energy: -481.801916
where:
bonds (distance) C4'-P energy: -112.342
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -123.488
flat angles P-C4'-P energy: -59.953
tors. eta vs tors. theta energy: -75.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1081.515332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.515332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.515332 (E_RNA)
where:
Base-Base interactions energy: -690.289
where: short stacking energy: -333.175
Base-Backbone interact. energy: 2.126
local terms energy: -393.351892
where:
bonds (distance) C4'-P energy: -97.294
bonds (distance) P-C4' energy: -90.310
flat angles C4'-P-C4' energy: -101.322
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -54.967
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -879.600892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.600892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.600892 (E_RNA)
where:
Base-Base interactions energy: -468.635
where: short stacking energy: -265.213
Base-Backbone interact. energy: -2.640
local terms energy: -408.325629
where:
bonds (distance) C4'-P energy: -99.141
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -98.555
flat angles P-C4'-P energy: -69.610
tors. eta vs tors. theta energy: -28.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -558.778474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.778474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.778474 (E_RNA)
where:
Base-Base interactions energy: -227.736
where: short stacking energy: -173.867
Base-Backbone interact. energy: 3.186
local terms energy: -334.228183
where:
bonds (distance) C4'-P energy: -100.436
bonds (distance) P-C4' energy: -96.642
flat angles C4'-P-C4' energy: -68.553
flat angles P-C4'-P energy: -70.205
tors. eta vs tors. theta energy: 1.607
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: 2
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -484.012152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.012152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.012152 (E_RNA)
where:
Base-Base interactions energy: -177.712
where: short stacking energy: -167.130
Base-Backbone interact. energy: -0.006
local terms energy: -306.293837
where:
bonds (distance) C4'-P energy: -77.500
bonds (distance) P-C4' energy: -115.803
flat angles C4'-P-C4' energy: -90.431
flat angles P-C4'-P energy: -24.512
tors. eta vs tors. theta energy: 1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1890.112515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.112515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.112515 (E_RNA)
where:
Base-Base interactions energy: -1250.850
where: short stacking energy: -565.080
Base-Backbone interact. energy: -2.526
local terms energy: -636.736800
where:
bonds (distance) C4'-P energy: -133.920
bonds (distance) P-C4' energy: -123.715
flat angles C4'-P-C4' energy: -141.659
flat angles P-C4'-P energy: -86.646
tors. eta vs tors. theta energy: -150.797
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: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1740.776329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.776329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.776329 (E_RNA)
where:
Base-Base interactions energy: -1149.664
where: short stacking energy: -542.603
Base-Backbone interact. energy: -2.039
local terms energy: -589.072590
where:
bonds (distance) C4'-P energy: -120.119
bonds (distance) P-C4' energy: -106.333
flat angles C4'-P-C4' energy: -139.034
flat angles P-C4'-P energy: -86.644
tors. eta vs tors. theta energy: -136.942
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: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1594.771459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.771459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.771459 (E_RNA)
where:
Base-Base interactions energy: -1030.864
where: short stacking energy: -499.039
Base-Backbone interact. energy: -3.036
local terms energy: -560.872133
where:
bonds (distance) C4'-P energy: -100.813
bonds (distance) P-C4' energy: -122.516
flat angles C4'-P-C4' energy: -118.787
flat angles P-C4'-P energy: -84.979
tors. eta vs tors. theta energy: -133.776
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: 4, replica: 9
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1465.398643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.398643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.398643 (E_RNA)
where:
Base-Base interactions energy: -932.509
where: short stacking energy: -408.517
Base-Backbone interact. energy: -0.439
local terms energy: -532.450571
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -129.134
flat angles C4'-P-C4' energy: -126.748
flat angles P-C4'-P energy: -78.582
tors. eta vs tors. theta energy: -94.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1303.583929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.583929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.583929 (E_RNA)
where:
Base-Base interactions energy: -824.166
where: short stacking energy: -407.868
Base-Backbone interact. energy: -0.834
local terms energy: -478.583596
where:
bonds (distance) C4'-P energy: -96.595
bonds (distance) P-C4' energy: -95.804
flat angles C4'-P-C4' energy: -109.936
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -84.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1135.229750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.229750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.229750 (E_RNA)
where:
Base-Base interactions energy: -662.442
where: short stacking energy: -336.035
Base-Backbone interact. energy: -1.788
local terms energy: -470.999852
where:
bonds (distance) C4'-P energy: -99.480
bonds (distance) P-C4' energy: -105.134
flat angles C4'-P-C4' energy: -121.975
flat angles P-C4'-P energy: -77.115
tors. eta vs tors. theta energy: -67.297
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: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1099.304539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.304539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.304539 (E_RNA)
where:
Base-Base interactions energy: -648.256
where: short stacking energy: -317.083
Base-Backbone interact. energy: -2.434
local terms energy: -448.614567
where:
bonds (distance) C4'-P energy: -102.242
bonds (distance) P-C4' energy: -112.661
flat angles C4'-P-C4' energy: -110.748
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -53.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -930.709173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.709173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.709173 (E_RNA)
where:
Base-Base interactions energy: -545.749
where: short stacking energy: -273.825
Base-Backbone interact. energy: 0.073
local terms energy: -385.033218
where:
bonds (distance) C4'-P energy: -107.918
bonds (distance) P-C4' energy: -101.035
flat angles C4'-P-C4' energy: -95.915
flat angles P-C4'-P energy: -62.893
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -626.342522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.342522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.342522 (E_RNA)
where:
Base-Base interactions energy: -284.197
where: short stacking energy: -190.209
Base-Backbone interact. energy: -0.222
local terms energy: -341.924017
where:
bonds (distance) C4'-P energy: -93.306
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -74.086
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: 6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -480.623919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.623919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.623919 (E_RNA)
where:
Base-Base interactions energy: -173.336
where: short stacking energy: -129.881
Base-Backbone interact. energy: 3.051
local terms energy: -310.338501
where:
bonds (distance) C4'-P energy: -114.163
bonds (distance) P-C4' energy: -112.701
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: 19.072
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: 4
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1878.170124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.170124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.170124 (E_RNA)
where:
Base-Base interactions energy: -1259.051
where: short stacking energy: -556.606
Base-Backbone interact. energy: -3.000
local terms energy: -616.119275
where:
bonds (distance) C4'-P energy: -108.637
bonds (distance) P-C4' energy: -126.133
flat angles C4'-P-C4' energy: -136.807
flat angles P-C4'-P energy: -90.094
tors. eta vs tors. theta energy: -154.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1746.407905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.407905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.407905 (E_RNA)
where:
Base-Base interactions energy: -1118.744
where: short stacking energy: -515.922
Base-Backbone interact. energy: -1.393
local terms energy: -626.271402
where:
bonds (distance) C4'-P energy: -123.896
bonds (distance) P-C4' energy: -124.912
flat angles C4'-P-C4' energy: -142.377
flat angles P-C4'-P energy: -93.399
tors. eta vs tors. theta energy: -141.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1607.434792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.434792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.434792 (E_RNA)
where:
Base-Base interactions energy: -1050.603
where: short stacking energy: -500.928
Base-Backbone interact. energy: -2.532
local terms energy: -554.300327
where:
bonds (distance) C4'-P energy: -104.973
bonds (distance) P-C4' energy: -128.155
flat angles C4'-P-C4' energy: -134.403
flat angles P-C4'-P energy: -60.286
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: 4, replica: 9
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1489.171480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.171480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.171480 (E_RNA)
where:
Base-Base interactions energy: -929.857
where: short stacking energy: -444.866
Base-Backbone interact. energy: -2.417
local terms energy: -556.897992
where:
bonds (distance) C4'-P energy: -127.979
bonds (distance) P-C4' energy: -130.330
flat angles C4'-P-C4' energy: -124.295
flat angles P-C4'-P energy: -67.564
tors. eta vs tors. theta energy: -106.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1382.687602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.687602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.687602 (E_RNA)
where:
Base-Base interactions energy: -865.386
where: short stacking energy: -431.602
Base-Backbone interact. energy: 0.507
local terms energy: -517.808777
where:
bonds (distance) C4'-P energy: -107.723
bonds (distance) P-C4' energy: -105.359
flat angles C4'-P-C4' energy: -122.922
flat angles P-C4'-P energy: -80.206
tors. eta vs tors. theta energy: -101.599
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: 31
Temperature: 1.150000
Total energy: -1120.976113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.976113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.976113 (E_RNA)
where:
Base-Base interactions energy: -636.711
where: short stacking energy: -353.716
Base-Backbone interact. energy: -3.300
local terms energy: -480.965418
where:
bonds (distance) C4'-P energy: -115.768
bonds (distance) P-C4' energy: -107.958
flat angles C4'-P-C4' energy: -114.374
flat angles P-C4'-P energy: -79.353
tors. eta vs tors. theta energy: -63.512
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1092.485316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.485316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.485316 (E_RNA)
where:
Base-Base interactions energy: -642.944
where: short stacking energy: -321.203
Base-Backbone interact. energy: -0.762
local terms energy: -448.779065
where:
bonds (distance) C4'-P energy: -92.953
bonds (distance) P-C4' energy: -132.531
flat angles C4'-P-C4' energy: -119.659
flat angles P-C4'-P energy: -55.162
tors. eta vs tors. theta energy: -48.474
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: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1025.771574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.771574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.771574 (E_RNA)
where:
Base-Base interactions energy: -640.162
where: short stacking energy: -297.664
Base-Backbone interact. energy: 1.174
local terms energy: -386.783613
where:
bonds (distance) C4'-P energy: -89.817
bonds (distance) P-C4' energy: -99.080
flat angles C4'-P-C4' energy: -95.006
flat angles P-C4'-P energy: -63.607
tors. eta vs tors. theta energy: -39.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -615.577891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.577891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.577891 (E_RNA)
where:
Base-Base interactions energy: -297.076
where: short stacking energy: -186.977
Base-Backbone interact. energy: 0.380
local terms energy: -318.882285
where:
bonds (distance) C4'-P energy: -88.389
bonds (distance) P-C4' energy: -104.414
flat angles C4'-P-C4' energy: -80.137
flat angles P-C4'-P energy: -62.468
tors. eta vs tors. theta energy: 16.526
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: 2
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -484.873802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.873802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.873802 (E_RNA)
where:
Base-Base interactions energy: -177.300
where: short stacking energy: -127.831
Base-Backbone interact. energy: 6.266
local terms energy: -313.839490
where:
bonds (distance) C4'-P energy: -92.605
bonds (distance) P-C4' energy: -109.858
flat angles C4'-P-C4' energy: -80.052
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: 21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1882.592111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.592111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.592111 (E_RNA)
where:
Base-Base interactions energy: -1263.418
where: short stacking energy: -566.583
Base-Backbone interact. energy: -2.427
local terms energy: -616.747393
where:
bonds (distance) C4'-P energy: -123.765
bonds (distance) P-C4' energy: -121.010
flat angles C4'-P-C4' energy: -141.254
flat angles P-C4'-P energy: -86.462
tors. eta vs tors. theta energy: -144.256
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: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1739.465301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.465301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.465301 (E_RNA)
where:
Base-Base interactions energy: -1150.777
where: short stacking energy: -511.724
Base-Backbone interact. energy: -3.151
local terms energy: -585.536986
where:
bonds (distance) C4'-P energy: -111.824
bonds (distance) P-C4' energy: -117.969
flat angles C4'-P-C4' energy: -142.827
flat angles P-C4'-P energy: -76.115
tors. eta vs tors. theta energy: -136.802
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: 10
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1607.948391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.948391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.948391 (E_RNA)
where:
Base-Base interactions energy: -1066.813
where: short stacking energy: -482.232
Base-Backbone interact. energy: -2.546
local terms energy: -538.589398
where:
bonds (distance) C4'-P energy: -103.040
bonds (distance) P-C4' energy: -125.206
flat angles C4'-P-C4' energy: -118.805
flat angles P-C4'-P energy: -81.421
tors. eta vs tors. theta energy: -110.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1483.517757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.517757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.517757 (E_RNA)
where:
Base-Base interactions energy: -951.186
where: short stacking energy: -446.211
Base-Backbone interact. energy: -3.287
local terms energy: -529.044965
where:
bonds (distance) C4'-P energy: -108.082
bonds (distance) P-C4' energy: -125.997
flat angles C4'-P-C4' energy: -117.485
flat angles P-C4'-P energy: -73.303
tors. eta vs tors. theta energy: -104.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1381.195420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.195420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.195420 (E_RNA)
where:
Base-Base interactions energy: -854.206
where: short stacking energy: -402.757
Base-Backbone interact. energy: -3.817
local terms energy: -523.172743
where:
bonds (distance) C4'-P energy: -115.743
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -132.151
flat angles P-C4'-P energy: -65.941
tors. eta vs tors. theta energy: -98.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1076.518204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.518204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.518204 (E_RNA)
where:
Base-Base interactions energy: -613.759
where: short stacking energy: -317.745
Base-Backbone interact. energy: 2.225
local terms energy: -464.984326
where:
bonds (distance) C4'-P energy: -100.238
bonds (distance) P-C4' energy: -111.819
flat angles C4'-P-C4' energy: -115.508
flat angles P-C4'-P energy: -73.537
tors. eta vs tors. theta energy: -63.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -1098.974871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.974871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.974871 (E_RNA)
where:
Base-Base interactions energy: -642.029
where: short stacking energy: -301.382
Base-Backbone interact. energy: 0.466
local terms energy: -457.411394
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -119.012
flat angles C4'-P-C4' energy: -123.259
flat angles P-C4'-P energy: -64.104
tors. eta vs tors. theta energy: -51.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1028.553503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.553503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.553503 (E_RNA)
where:
Base-Base interactions energy: -606.096
where: short stacking energy: -300.696
Base-Backbone interact. energy: 4.861
local terms energy: -427.317920
where:
bonds (distance) C4'-P energy: -94.498
bonds (distance) P-C4' energy: -111.036
flat angles C4'-P-C4' energy: -111.925
flat angles P-C4'-P energy: -68.423
tors. eta vs tors. theta energy: -41.436
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: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -671.383623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.383623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.383623 (E_RNA)
where:
Base-Base interactions energy: -339.543
where: short stacking energy: -183.340
Base-Backbone interact. energy: 0.185
local terms energy: -332.025799
where:
bonds (distance) C4'-P energy: -94.219
bonds (distance) P-C4' energy: -107.233
flat angles C4'-P-C4' energy: -93.690
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: 1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -473.562575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.562575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.562575 (E_RNA)
where:
Base-Base interactions energy: -167.158
where: short stacking energy: -138.229
Base-Backbone interact. energy: -1.234
local terms energy: -305.170761
where:
bonds (distance) C4'-P energy: -93.407
bonds (distance) P-C4' energy: -101.315
flat angles C4'-P-C4' energy: -74.183
flat angles P-C4'-P energy: -56.141
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: 4
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1819.825824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.825824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.825824 (E_RNA)
where:
Base-Base interactions energy: -1207.125
where: short stacking energy: -534.408
Base-Backbone interact. energy: -1.338
local terms energy: -611.362757
where:
bonds (distance) C4'-P energy: -108.423
bonds (distance) P-C4' energy: -131.728
flat angles C4'-P-C4' energy: -148.766
flat angles P-C4'-P energy: -94.501
tors. eta vs tors. theta energy: -127.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1718.312662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.312662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.312662 (E_RNA)
where:
Base-Base interactions energy: -1145.036
where: short stacking energy: -509.439
Base-Backbone interact. energy: 1.370
local terms energy: -574.646096
where:
bonds (distance) C4'-P energy: -114.382
bonds (distance) P-C4' energy: -116.553
flat angles C4'-P-C4' energy: -123.820
flat angles P-C4'-P energy: -90.684
tors. eta vs tors. theta energy: -129.207
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: 10
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1635.405929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.405929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.405929 (E_RNA)
where:
Base-Base interactions energy: -1080.629
where: short stacking energy: -512.859
Base-Backbone interact. energy: -0.201
local terms energy: -554.575964
where:
bonds (distance) C4'-P energy: -96.808
bonds (distance) P-C4' energy: -128.953
flat angles C4'-P-C4' energy: -117.986
flat angles P-C4'-P energy: -74.924
tors. eta vs tors. theta energy: -135.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1521.219697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.219697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.219697 (E_RNA)
where:
Base-Base interactions energy: -1000.479
where: short stacking energy: -433.038
Base-Backbone interact. energy: -1.932
local terms energy: -518.808017
where:
bonds (distance) C4'-P energy: -109.905
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -116.919
flat angles P-C4'-P energy: -75.684
tors. eta vs tors. theta energy: -100.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1388.792750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.792750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.792750 (E_RNA)
where:
Base-Base interactions energy: -873.015
where: short stacking energy: -423.631
Base-Backbone interact. energy: -1.662
local terms energy: -514.115722
where:
bonds (distance) C4'-P energy: -102.009
bonds (distance) P-C4' energy: -116.587
flat angles C4'-P-C4' energy: -115.111
flat angles P-C4'-P energy: -73.903
tors. eta vs tors. theta energy: -106.505
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: 6, replica: 3
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1138.346747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.346747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.346747 (E_RNA)
where:
Base-Base interactions energy: -675.676
where: short stacking energy: -366.054
Base-Backbone interact. energy: 1.046
local terms energy: -463.716537
where:
bonds (distance) C4'-P energy: -108.341
bonds (distance) P-C4' energy: -110.554
flat angles C4'-P-C4' energy: -94.466
flat angles P-C4'-P energy: -74.965
tors. eta vs tors. theta energy: -75.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1091.057068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.057068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.057068 (E_RNA)
where:
Base-Base interactions energy: -661.061
where: short stacking energy: -338.447
Base-Backbone interact. energy: -1.940
local terms energy: -428.056391
where:
bonds (distance) C4'-P energy: -111.525
bonds (distance) P-C4' energy: -102.785
flat angles C4'-P-C4' energy: -104.784
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -54.607
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -995.892708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.892708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.892708 (E_RNA)
where:
Base-Base interactions energy: -557.269
where: short stacking energy: -263.625
Base-Backbone interact. energy: 0.172
local terms energy: -438.795446
where:
bonds (distance) C4'-P energy: -110.464
bonds (distance) P-C4' energy: -108.840
flat angles C4'-P-C4' energy: -99.640
flat angles P-C4'-P energy: -71.306
tors. eta vs tors. theta energy: -48.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -714.860738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.860738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.860738 (E_RNA)
where:
Base-Base interactions energy: -348.634
where: short stacking energy: -227.395
Base-Backbone interact. energy: -0.311
local terms energy: -365.915948
where:
bonds (distance) C4'-P energy: -94.862
bonds (distance) P-C4' energy: -101.669
flat angles C4'-P-C4' energy: -100.624
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -497.282521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.282521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.282521 (E_RNA)
where:
Base-Base interactions energy: -198.943
where: short stacking energy: -125.931
Base-Backbone interact. energy: 2.816
local terms energy: -301.155118
where:
bonds (distance) C4'-P energy: -91.808
bonds (distance) P-C4' energy: -104.992
flat angles C4'-P-C4' energy: -98.077
flat angles P-C4'-P energy: -43.345
tors. eta vs tors. theta energy: 37.066
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: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1872.582188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.582188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.582188 (E_RNA)
where:
Base-Base interactions energy: -1218.620
where: short stacking energy: -559.484
Base-Backbone interact. energy: -3.436
local terms energy: -650.526674
where:
bonds (distance) C4'-P energy: -125.335
bonds (distance) P-C4' energy: -122.665
flat angles C4'-P-C4' energy: -140.654
flat angles P-C4'-P energy: -100.382
tors. eta vs tors. theta energy: -161.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1755.020628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.020628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.020628 (E_RNA)
where:
Base-Base interactions energy: -1149.304
where: short stacking energy: -514.114
Base-Backbone interact. energy: -4.916
local terms energy: -600.800250
where:
bonds (distance) C4'-P energy: -117.395
bonds (distance) P-C4' energy: -124.182
flat angles C4'-P-C4' energy: -139.327
flat angles P-C4'-P energy: -78.237
tors. eta vs tors. theta energy: -141.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1660.885830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.885830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.885830 (E_RNA)
where:
Base-Base interactions energy: -1075.350
where: short stacking energy: -479.644
Base-Backbone interact. energy: -0.780
local terms energy: -584.756407
where:
bonds (distance) C4'-P energy: -112.773
bonds (distance) P-C4' energy: -121.929
flat angles C4'-P-C4' energy: -137.303
flat angles P-C4'-P energy: -78.482
tors. eta vs tors. theta energy: -134.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1564.952981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.952981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.952981 (E_RNA)
where:
Base-Base interactions energy: -1020.857
where: short stacking energy: -434.730
Base-Backbone interact. energy: -4.266
local terms energy: -539.829607
where:
bonds (distance) C4'-P energy: -111.594
bonds (distance) P-C4' energy: -111.880
flat angles C4'-P-C4' energy: -120.753
flat angles P-C4'-P energy: -85.396
tors. eta vs tors. theta energy: -110.207
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: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1407.046147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.046147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.046147 (E_RNA)
where:
Base-Base interactions energy: -876.990
where: short stacking energy: -406.507
Base-Backbone interact. energy: -2.540
local terms energy: -527.515703
where:
bonds (distance) C4'-P energy: -117.676
bonds (distance) P-C4' energy: -113.862
flat angles C4'-P-C4' energy: -113.338
flat angles P-C4'-P energy: -81.152
tors. eta vs tors. theta energy: -101.488
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: 34
Temperature: 1.150000
Total energy: -1084.592672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.592672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.592672 (E_RNA)
where:
Base-Base interactions energy: -641.336
where: short stacking energy: -313.680
Base-Backbone interact. energy: 1.858
local terms energy: -445.115134
where:
bonds (distance) C4'-P energy: -105.557
bonds (distance) P-C4' energy: -120.316
flat angles C4'-P-C4' energy: -100.480
flat angles P-C4'-P energy: -61.510
tors. eta vs tors. theta energy: -57.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1111.964545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.964545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.964545 (E_RNA)
where:
Base-Base interactions energy: -652.471
where: short stacking energy: -312.397
Base-Backbone interact. energy: -0.139
local terms energy: -459.354610
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -120.152
flat angles C4'-P-C4' energy: -118.447
flat angles P-C4'-P energy: -73.543
tors. eta vs tors. theta energy: -48.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1041.457222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.457222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.457222 (E_RNA)
where:
Base-Base interactions energy: -623.873
where: short stacking energy: -307.192
Base-Backbone interact. energy: 2.593
local terms energy: -420.177501
where:
bonds (distance) C4'-P energy: -92.044
bonds (distance) P-C4' energy: -110.065
flat angles C4'-P-C4' energy: -106.029
flat angles P-C4'-P energy: -65.022
tors. eta vs tors. theta energy: -47.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -675.883877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.883877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.883877 (E_RNA)
where:
Base-Base interactions energy: -336.675
where: short stacking energy: -198.757
Base-Backbone interact. energy: -1.940
local terms energy: -337.268838
where:
bonds (distance) C4'-P energy: -84.914
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -87.984
flat angles P-C4'-P energy: -40.925
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -461.518605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.518605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.518605 (E_RNA)
where:
Base-Base interactions energy: -155.933
where: short stacking energy: -121.650
Base-Backbone interact. energy: -0.855
local terms energy: -304.730325
where:
bonds (distance) C4'-P energy: -105.584
bonds (distance) P-C4' energy: -112.057
flat angles C4'-P-C4' energy: -74.288
flat angles P-C4'-P energy: -43.679
tors. eta vs tors. theta energy: 30.878
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: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1885.024368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.024368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.024368 (E_RNA)
where:
Base-Base interactions energy: -1252.973
where: short stacking energy: -586.610
Base-Backbone interact. energy: -0.359
local terms energy: -631.692139
where:
bonds (distance) C4'-P energy: -117.453
bonds (distance) P-C4' energy: -129.874
flat angles C4'-P-C4' energy: -129.619
flat angles P-C4'-P energy: -95.261
tors. eta vs tors. theta energy: -159.484
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: 2, replica: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1745.194365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.194365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.194365 (E_RNA)
where:
Base-Base interactions energy: -1147.450
where: short stacking energy: -515.341
Base-Backbone interact. energy: -2.354
local terms energy: -595.390696
where:
bonds (distance) C4'-P energy: -114.597
bonds (distance) P-C4' energy: -125.301
flat angles C4'-P-C4' energy: -129.025
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -135.158
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: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1676.665538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.665538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.665538 (E_RNA)
where:
Base-Base interactions energy: -1113.546
where: short stacking energy: -510.318
Base-Backbone interact. energy: 2.830
local terms energy: -565.948695
where:
bonds (distance) C4'-P energy: -109.281
bonds (distance) P-C4' energy: -111.404
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -86.797
tors. eta vs tors. theta energy: -134.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1487.513461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.513461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.513461 (E_RNA)
where:
Base-Base interactions energy: -911.959
where: short stacking energy: -482.409
Base-Backbone interact. energy: -3.324
local terms energy: -572.230780
where:
bonds (distance) C4'-P energy: -117.379
bonds (distance) P-C4' energy: -123.469
flat angles C4'-P-C4' energy: -131.960
flat angles P-C4'-P energy: -74.075
tors. eta vs tors. theta energy: -125.347
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: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1508.057372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.057372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.057372 (E_RNA)
where:
Base-Base interactions energy: -984.134
where: short stacking energy: -424.628
Base-Backbone interact. energy: -1.555
local terms energy: -522.368152
where:
bonds (distance) C4'-P energy: -115.849
bonds (distance) P-C4' energy: -122.625
flat angles C4'-P-C4' energy: -122.515
flat angles P-C4'-P energy: -65.085
tors. eta vs tors. theta energy: -96.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1107.197665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.197665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.197665 (E_RNA)
where:
Base-Base interactions energy: -628.384
where: short stacking energy: -332.201
Base-Backbone interact. energy: 1.096
local terms energy: -479.909981
where:
bonds (distance) C4'-P energy: -107.801
bonds (distance) P-C4' energy: -122.324
flat angles C4'-P-C4' energy: -99.556
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -66.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -938.728706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.728706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.728706 (E_RNA)
where:
Base-Base interactions energy: -517.290
where: short stacking energy: -268.180
Base-Backbone interact. energy: -2.754
local terms energy: -418.685017
where:
bonds (distance) C4'-P energy: -99.160
bonds (distance) P-C4' energy: -118.680
flat angles C4'-P-C4' energy: -102.460
flat angles P-C4'-P energy: -67.135
tors. eta vs tors. theta energy: -31.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1001.721312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.721312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.721312 (E_RNA)
where:
Base-Base interactions energy: -586.565
where: short stacking energy: -317.421
Base-Backbone interact. energy: -2.399
local terms energy: -412.757907
where:
bonds (distance) C4'-P energy: -78.975
bonds (distance) P-C4' energy: -100.244
flat angles C4'-P-C4' energy: -108.638
flat angles P-C4'-P energy: -59.644
tors. eta vs tors. theta energy: -65.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -650.373075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.373075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.373075 (E_RNA)
where:
Base-Base interactions energy: -314.877
where: short stacking energy: -175.019
Base-Backbone interact. energy: -1.791
local terms energy: -333.705456
where:
bonds (distance) C4'-P energy: -104.058
bonds (distance) P-C4' energy: -123.383
flat angles C4'-P-C4' energy: -73.856
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: 11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -457.058791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.058791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.058791 (E_RNA)
where:
Base-Base interactions energy: -142.495
where: short stacking energy: -130.789
Base-Backbone interact. energy: -0.614
local terms energy: -313.949048
where:
bonds (distance) C4'-P energy: -105.597
bonds (distance) P-C4' energy: -91.093
flat angles C4'-P-C4' energy: -93.972
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: 15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1902.915518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.915518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.915518 (E_RNA)
where:
Base-Base interactions energy: -1250.724
where: short stacking energy: -569.849
Base-Backbone interact. energy: -2.164
local terms energy: -650.028250
where:
bonds (distance) C4'-P energy: -111.263
bonds (distance) P-C4' energy: -137.870
flat angles C4'-P-C4' energy: -140.953
flat angles P-C4'-P energy: -94.101
tors. eta vs tors. theta energy: -165.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1758.615793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.615793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.615793 (E_RNA)
where:
Base-Base interactions energy: -1143.633
where: short stacking energy: -519.970
Base-Backbone interact. energy: -2.181
local terms energy: -612.802345
where:
bonds (distance) C4'-P energy: -125.155
bonds (distance) P-C4' energy: -125.254
flat angles C4'-P-C4' energy: -135.180
flat angles P-C4'-P energy: -83.764
tors. eta vs tors. theta energy: -143.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1635.941919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.941919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.941919 (E_RNA)
where:
Base-Base interactions energy: -1094.911
where: short stacking energy: -442.207
Base-Backbone interact. energy: -5.549
local terms energy: -535.481711
where:
bonds (distance) C4'-P energy: -116.117
bonds (distance) P-C4' energy: -119.453
flat angles C4'-P-C4' energy: -123.746
flat angles P-C4'-P energy: -75.305
tors. eta vs tors. theta energy: -100.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1465.708542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.708542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.708542 (E_RNA)
where:
Base-Base interactions energy: -896.871
where: short stacking energy: -462.287
Base-Backbone interact. energy: -1.833
local terms energy: -567.004453
where:
bonds (distance) C4'-P energy: -114.143
bonds (distance) P-C4' energy: -114.926
flat angles C4'-P-C4' energy: -128.813
flat angles P-C4'-P energy: -82.065
tors. eta vs tors. theta energy: -127.057
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: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1472.085009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.085009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.085009 (E_RNA)
where:
Base-Base interactions energy: -987.135
where: short stacking energy: -409.027
Base-Backbone interact. energy: -3.064
local terms energy: -481.886164
where:
bonds (distance) C4'-P energy: -99.725
bonds (distance) P-C4' energy: -102.981
flat angles C4'-P-C4' energy: -102.457
flat angles P-C4'-P energy: -76.137
tors. eta vs tors. theta energy: -100.586
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: 36
Temperature: 1.150000
Total energy: -1133.999721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.999721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.999721 (E_RNA)
where:
Base-Base interactions energy: -658.141
where: short stacking energy: -334.811
Base-Backbone interact. energy: -2.606
local terms energy: -473.252975
where:
bonds (distance) C4'-P energy: -105.763
bonds (distance) P-C4' energy: -124.934
flat angles C4'-P-C4' energy: -116.074
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -62.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1019.791557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.791557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.791557 (E_RNA)
where:
Base-Base interactions energy: -609.449
where: short stacking energy: -302.532
Base-Backbone interact. energy: 0.556
local terms energy: -410.898331
where:
bonds (distance) C4'-P energy: -96.601
bonds (distance) P-C4' energy: -116.104
flat angles C4'-P-C4' energy: -99.564
flat angles P-C4'-P energy: -54.335
tors. eta vs tors. theta energy: -44.294
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: 8, replica: 3
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -861.508364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.508364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.508364 (E_RNA)
where:
Base-Base interactions energy: -471.407
where: short stacking energy: -241.519
Base-Backbone interact. energy: -0.476
local terms energy: -389.624874
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -113.722
flat angles C4'-P-C4' energy: -95.325
flat angles P-C4'-P energy: -50.508
tors. eta vs tors. theta energy: -35.150
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: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -628.581552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.581552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.581552 (E_RNA)
where:
Base-Base interactions energy: -304.761
where: short stacking energy: -173.244
Base-Backbone interact. energy: -2.011
local terms energy: -321.809661
where:
bonds (distance) C4'-P energy: -96.937
bonds (distance) P-C4' energy: -110.710
flat angles C4'-P-C4' energy: -82.852
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: 15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -481.224158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.224158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.224158 (E_RNA)
where:
Base-Base interactions energy: -167.102
where: short stacking energy: -143.066
Base-Backbone interact. energy: 0.347
local terms energy: -314.469209
where:
bonds (distance) C4'-P energy: -106.070
bonds (distance) P-C4' energy: -103.111
flat angles C4'-P-C4' energy: -81.865
flat angles P-C4'-P energy: -39.013
tors. eta vs tors. theta energy: 15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1904.112699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.112699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.112699 (E_RNA)
where:
Base-Base interactions energy: -1253.501
where: short stacking energy: -580.059
Base-Backbone interact. energy: 0.484
local terms energy: -651.096247
where:
bonds (distance) C4'-P energy: -121.904
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -137.279
flat angles P-C4'-P energy: -101.310
tors. eta vs tors. theta energy: -160.971
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: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1757.444189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.444189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.444189 (E_RNA)
where:
Base-Base interactions energy: -1148.761
where: short stacking energy: -515.374
Base-Backbone interact. energy: -7.177
local terms energy: -601.506154
where:
bonds (distance) C4'-P energy: -131.759
bonds (distance) P-C4' energy: -130.756
flat angles C4'-P-C4' energy: -126.296
flat angles P-C4'-P energy: -67.682
tors. eta vs tors. theta energy: -145.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1629.497656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.497656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.497656 (E_RNA)
where:
Base-Base interactions energy: -1076.308
where: short stacking energy: -486.689
Base-Backbone interact. energy: -1.465
local terms energy: -551.725043
where:
bonds (distance) C4'-P energy: -112.627
bonds (distance) P-C4' energy: -120.595
flat angles C4'-P-C4' energy: -125.744
flat angles P-C4'-P energy: -80.767
tors. eta vs tors. theta energy: -111.992
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: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1584.137493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.137493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.137493 (E_RNA)
where:
Base-Base interactions energy: -1009.222
where: short stacking energy: -456.264
Base-Backbone interact. energy: -1.499
local terms energy: -573.417053
where:
bonds (distance) C4'-P energy: -118.136
bonds (distance) P-C4' energy: -124.624
flat angles C4'-P-C4' energy: -128.859
flat angles P-C4'-P energy: -72.859
tors. eta vs tors. theta energy: -128.939
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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1438.069877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.069877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.069877 (E_RNA)
where:
Base-Base interactions energy: -881.458
where: short stacking energy: -444.864
Base-Backbone interact. energy: -0.002
local terms energy: -556.610464
where:
bonds (distance) C4'-P energy: -111.037
bonds (distance) P-C4' energy: -118.633
flat angles C4'-P-C4' energy: -126.812
flat angles P-C4'-P energy: -94.584
tors. eta vs tors. theta energy: -105.545
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: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1117.166593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.166593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.166593 (E_RNA)
where:
Base-Base interactions energy: -658.375
where: short stacking energy: -314.887
Base-Backbone interact. energy: -2.668
local terms energy: -456.123264
where:
bonds (distance) C4'-P energy: -99.022
bonds (distance) P-C4' energy: -116.997
flat angles C4'-P-C4' energy: -96.028
flat angles P-C4'-P energy: -92.978
tors. eta vs tors. theta energy: -51.099
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: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1100.524766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.524766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.524766 (E_RNA)
where:
Base-Base interactions energy: -644.454
where: short stacking energy: -302.964
Base-Backbone interact. energy: 0.347
local terms energy: -456.418344
where:
bonds (distance) C4'-P energy: -108.014
bonds (distance) P-C4' energy: -115.288
flat angles C4'-P-C4' energy: -114.166
flat angles P-C4'-P energy: -62.257
tors. eta vs tors. theta energy: -56.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -840.217599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.217599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.217599 (E_RNA)
where:
Base-Base interactions energy: -458.437
where: short stacking energy: -239.906
Base-Backbone interact. energy: 0.470
local terms energy: -382.251152
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -102.455
flat angles C4'-P-C4' energy: -89.694
flat angles P-C4'-P energy: -69.375
tors. eta vs tors. theta energy: -20.940
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: 5
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -707.497508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.497508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.497508 (E_RNA)
where:
Base-Base interactions energy: -364.087
where: short stacking energy: -193.284
Base-Backbone interact. energy: -0.975
local terms energy: -342.435919
where:
bonds (distance) C4'-P energy: -105.373
bonds (distance) P-C4' energy: -98.034
flat angles C4'-P-C4' energy: -80.434
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: 7.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -563.827229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.827229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.827229 (E_RNA)
where:
Base-Base interactions energy: -205.108
where: short stacking energy: -165.506
Base-Backbone interact. energy: 3.938
local terms energy: -362.656751
where:
bonds (distance) C4'-P energy: -95.688
bonds (distance) P-C4' energy: -110.437
flat angles C4'-P-C4' energy: -104.596
flat angles P-C4'-P energy: -54.718
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1879.401482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.401482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.401482 (E_RNA)
where:
Base-Base interactions energy: -1225.685
where: short stacking energy: -562.408
Base-Backbone interact. energy: -0.219
local terms energy: -653.497611
where:
bonds (distance) C4'-P energy: -126.105
bonds (distance) P-C4' energy: -133.620
flat angles C4'-P-C4' energy: -138.750
flat angles P-C4'-P energy: -94.667
tors. eta vs tors. theta energy: -160.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1730.997370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.997370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.997370 (E_RNA)
where:
Base-Base interactions energy: -1163.457
where: short stacking energy: -529.856
Base-Backbone interact. energy: 0.110
local terms energy: -567.650643
where:
bonds (distance) C4'-P energy: -117.052
bonds (distance) P-C4' energy: -116.912
flat angles C4'-P-C4' energy: -126.894
flat angles P-C4'-P energy: -79.454
tors. eta vs tors. theta energy: -127.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -1707.497564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.497564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.497564 (E_RNA)
where:
Base-Base interactions energy: -1102.751
where: short stacking energy: -518.446
Base-Backbone interact. energy: -3.030
local terms energy: -601.716231
where:
bonds (distance) C4'-P energy: -128.935
bonds (distance) P-C4' energy: -120.389
flat angles C4'-P-C4' energy: -143.742
flat angles P-C4'-P energy: -88.528
tors. eta vs tors. theta energy: -120.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1544.545362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.545362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.545362 (E_RNA)
where:
Base-Base interactions energy: -1014.138
where: short stacking energy: -451.387
Base-Backbone interact. energy: 0.253
local terms energy: -530.660463
where:
bonds (distance) C4'-P energy: -108.389
bonds (distance) P-C4' energy: -105.638
flat angles C4'-P-C4' energy: -121.182
flat angles P-C4'-P energy: -83.745
tors. eta vs tors. theta energy: -111.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1384.258744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.258744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.258744 (E_RNA)
where:
Base-Base interactions energy: -855.893
where: short stacking energy: -426.857
Base-Backbone interact. energy: -1.024
local terms energy: -527.341524
where:
bonds (distance) C4'-P energy: -98.069
bonds (distance) P-C4' energy: -126.210
flat angles C4'-P-C4' energy: -119.971
flat angles P-C4'-P energy: -68.364
tors. eta vs tors. theta energy: -114.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1135.114500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.114500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.114500 (E_RNA)
where:
Base-Base interactions energy: -687.830
where: short stacking energy: -324.143
Base-Backbone interact. energy: -2.708
local terms energy: -444.576163
where:
bonds (distance) C4'-P energy: -109.435
bonds (distance) P-C4' energy: -119.797
flat angles C4'-P-C4' energy: -96.412
flat angles P-C4'-P energy: -65.690
tors. eta vs tors. theta energy: -53.242
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: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1043.029763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.029763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.029763 (E_RNA)
where:
Base-Base interactions energy: -607.439
where: short stacking energy: -313.593
Base-Backbone interact. energy: -0.752
local terms energy: -434.839380
where:
bonds (distance) C4'-P energy: -99.666
bonds (distance) P-C4' energy: -107.126
flat angles C4'-P-C4' energy: -104.190
flat angles P-C4'-P energy: -67.637
tors. eta vs tors. theta energy: -56.220
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: 3
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -776.271677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.271677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.271677 (E_RNA)
where:
Base-Base interactions energy: -398.352
where: short stacking energy: -243.974
Base-Backbone interact. energy: -1.555
local terms energy: -376.364415
where:
bonds (distance) C4'-P energy: -88.106
bonds (distance) P-C4' energy: -105.709
flat angles C4'-P-C4' energy: -86.111
flat angles P-C4'-P energy: -73.112
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -820.371984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.371984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.371984 (E_RNA)
where:
Base-Base interactions energy: -467.365
where: short stacking energy: -234.927
Base-Backbone interact. energy: 13.065
local terms energy: -366.072199
where:
bonds (distance) C4'-P energy: -89.848
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -94.032
flat angles P-C4'-P energy: -62.472
tors. eta vs tors. theta energy: -8.433
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: 10, replica: 2
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -481.855993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.855993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.855993 (E_RNA)
where:
Base-Base interactions energy: -154.422
where: short stacking energy: -124.289
Base-Backbone interact. energy: -0.562
local terms energy: -326.872369
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -82.763
flat angles P-C4'-P energy: -67.689
tors. eta vs tors. theta energy: 24.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1870.382892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.382892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.382892 (E_RNA)
where:
Base-Base interactions energy: -1210.053
where: short stacking energy: -590.352
Base-Backbone interact. energy: -0.721
local terms energy: -659.608447
where:
bonds (distance) C4'-P energy: -119.005
bonds (distance) P-C4' energy: -132.995
flat angles C4'-P-C4' energy: -151.381
flat angles P-C4'-P energy: -90.937
tors. eta vs tors. theta energy: -165.292
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: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1767.194536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.194536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.194536 (E_RNA)
where:
Base-Base interactions energy: -1186.796
where: short stacking energy: -495.478
Base-Backbone interact. energy: -1.167
local terms energy: -579.231211
where:
bonds (distance) C4'-P energy: -112.693
bonds (distance) P-C4' energy: -126.834
flat angles C4'-P-C4' energy: -135.255
flat angles P-C4'-P energy: -79.548
tors. eta vs tors. theta energy: -124.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1660.684014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.684014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.684014 (E_RNA)
where:
Base-Base interactions energy: -1053.509
where: short stacking energy: -493.281
Base-Backbone interact. energy: -4.020
local terms energy: -603.154798
where:
bonds (distance) C4'-P energy: -123.478
bonds (distance) P-C4' energy: -116.413
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -88.496
tors. eta vs tors. theta energy: -135.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1556.328506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.328506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.328506 (E_RNA)
where:
Base-Base interactions energy: -1013.164
where: short stacking energy: -443.207
Base-Backbone interact. energy: 5.256
local terms energy: -548.420972
where:
bonds (distance) C4'-P energy: -119.917
bonds (distance) P-C4' energy: -106.449
flat angles C4'-P-C4' energy: -130.176
flat angles P-C4'-P energy: -85.341
tors. eta vs tors. theta energy: -106.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1378.149705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.149705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.149705 (E_RNA)
where:
Base-Base interactions energy: -851.195
where: short stacking energy: -437.938
Base-Backbone interact. energy: -3.026
local terms energy: -523.927875
where:
bonds (distance) C4'-P energy: -106.865
bonds (distance) P-C4' energy: -117.710
flat angles C4'-P-C4' energy: -126.002
flat angles P-C4'-P energy: -65.629
tors. eta vs tors. theta energy: -107.721
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: 8
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1133.725745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.725745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.725745 (E_RNA)
where:
Base-Base interactions energy: -693.427
where: short stacking energy: -360.875
Base-Backbone interact. energy: -0.559
local terms energy: -439.739900
where:
bonds (distance) C4'-P energy: -103.477
bonds (distance) P-C4' energy: -108.822
flat angles C4'-P-C4' energy: -111.851
flat angles P-C4'-P energy: -54.938
tors. eta vs tors. theta energy: -60.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1066.256246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.256246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.256246 (E_RNA)
where:
Base-Base interactions energy: -627.037
where: short stacking energy: -310.434
Base-Backbone interact. energy: 5.271
local terms energy: -444.490064
where:
bonds (distance) C4'-P energy: -109.786
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -105.473
flat angles P-C4'-P energy: -70.884
tors. eta vs tors. theta energy: -51.346
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: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -877.969632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.969632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.969632 (E_RNA)
where:
Base-Base interactions energy: -496.526
where: short stacking energy: -224.512
Base-Backbone interact. energy: -1.704
local terms energy: -379.739933
where:
bonds (distance) C4'-P energy: -96.640
bonds (distance) P-C4' energy: -104.102
flat angles C4'-P-C4' energy: -110.714
flat angles P-C4'-P energy: -68.036
tors. eta vs tors. theta energy: -0.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -705.541325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.541325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.541325 (E_RNA)
where:
Base-Base interactions energy: -347.604
where: short stacking energy: -220.620
Base-Backbone interact. energy: 2.000
local terms energy: -359.937203
where:
bonds (distance) C4'-P energy: -95.337
bonds (distance) P-C4' energy: -112.146
flat angles C4'-P-C4' energy: -92.249
flat angles P-C4'-P energy: -44.056
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -495.579720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.579720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.579720 (E_RNA)
where:
Base-Base interactions energy: -159.698
where: short stacking energy: -131.694
Base-Backbone interact. energy: 3.708
local terms energy: -339.590162
where:
bonds (distance) C4'-P energy: -108.688
bonds (distance) P-C4' energy: -93.708
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -46.303
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1873.594185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.594185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.594185 (E_RNA)
where:
Base-Base interactions energy: -1233.204
where: short stacking energy: -577.151
Base-Backbone interact. energy: -3.634
local terms energy: -636.756508
where:
bonds (distance) C4'-P energy: -128.999
bonds (distance) P-C4' energy: -123.165
flat angles C4'-P-C4' energy: -143.147
flat angles P-C4'-P energy: -84.899
tors. eta vs tors. theta energy: -156.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1770.379112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.379112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.379112 (E_RNA)
where:
Base-Base interactions energy: -1171.848
where: short stacking energy: -500.413
Base-Backbone interact. energy: -0.412
local terms energy: -598.119493
where:
bonds (distance) C4'-P energy: -125.631
bonds (distance) P-C4' energy: -120.692
flat angles C4'-P-C4' energy: -129.774
flat angles P-C4'-P energy: -95.732
tors. eta vs tors. theta energy: -126.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1608.184016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.184016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.184016 (E_RNA)
where:
Base-Base interactions energy: -1051.893
where: short stacking energy: -482.274
Base-Backbone interact. energy: -1.538
local terms energy: -554.752997
where:
bonds (distance) C4'-P energy: -99.308
bonds (distance) P-C4' energy: -116.519
flat angles C4'-P-C4' energy: -134.506
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -129.273
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: 40
Temperature: 1.050000
Total energy: -1571.257205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.257205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.257205 (E_RNA)
where:
Base-Base interactions energy: -1016.464
where: short stacking energy: -481.649
Base-Backbone interact. energy: 0.490
local terms energy: -555.283711
where:
bonds (distance) C4'-P energy: -104.856
bonds (distance) P-C4' energy: -106.972
flat angles C4'-P-C4' energy: -132.555
flat angles P-C4'-P energy: -84.128
tors. eta vs tors. theta energy: -126.772
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1369.544123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.544123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.544123 (E_RNA)
where:
Base-Base interactions energy: -867.841
where: short stacking energy: -425.568
Base-Backbone interact. energy: 4.920
local terms energy: -506.623523
where:
bonds (distance) C4'-P energy: -103.569
bonds (distance) P-C4' energy: -121.690
flat angles C4'-P-C4' energy: -115.246
flat angles P-C4'-P energy: -71.271
tors. eta vs tors. theta energy: -94.848
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: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1157.696694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.696694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.696694 (E_RNA)
where:
Base-Base interactions energy: -701.293
where: short stacking energy: -341.687
Base-Backbone interact. energy: 5.972
local terms energy: -462.376306
where:
bonds (distance) C4'-P energy: -98.323
bonds (distance) P-C4' energy: -118.690
flat angles C4'-P-C4' energy: -104.522
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -68.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1058.601380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.601380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.601380 (E_RNA)
where:
Base-Base interactions energy: -628.902
where: short stacking energy: -324.154
Base-Backbone interact. energy: -2.115
local terms energy: -427.584910
where:
bonds (distance) C4'-P energy: -93.050
bonds (distance) P-C4' energy: -104.932
flat angles C4'-P-C4' energy: -104.852
flat angles P-C4'-P energy: -61.688
tors. eta vs tors. theta energy: -63.062
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: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -843.345893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.345893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.345893 (E_RNA)
where:
Base-Base interactions energy: -514.168
where: short stacking energy: -233.960
Base-Backbone interact. energy: 1.272
local terms energy: -330.449863
where:
bonds (distance) C4'-P energy: -93.795
bonds (distance) P-C4' energy: -97.236
flat angles C4'-P-C4' energy: -85.881
flat angles P-C4'-P energy: -49.405
tors. eta vs tors. theta energy: -4.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -719.262989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.262989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.262989 (E_RNA)
where:
Base-Base interactions energy: -340.777
where: short stacking energy: -215.522
Base-Backbone interact. energy: -1.532
local terms energy: -376.953996
where:
bonds (distance) C4'-P energy: -98.240
bonds (distance) P-C4' energy: -85.772
flat angles C4'-P-C4' energy: -109.998
flat angles P-C4'-P energy: -56.035
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -471.886061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.886061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.886061 (E_RNA)
where:
Base-Base interactions energy: -183.267
where: short stacking energy: -136.497
Base-Backbone interact. energy: 3.257
local terms energy: -291.875709
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -103.981
flat angles C4'-P-C4' energy: -59.265
flat angles P-C4'-P energy: -61.990
tors. eta vs tors. theta energy: 28.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1876.902988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.902988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.902988 (E_RNA)
where:
Base-Base interactions energy: -1267.974
where: short stacking energy: -589.541
Base-Backbone interact. energy: -1.469
local terms energy: -607.460086
where:
bonds (distance) C4'-P energy: -120.619
bonds (distance) P-C4' energy: -111.705
flat angles C4'-P-C4' energy: -141.997
flat angles P-C4'-P energy: -83.823
tors. eta vs tors. theta energy: -149.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1766.166028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.166028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.166028 (E_RNA)
where:
Base-Base interactions energy: -1169.934
where: short stacking energy: -496.707
Base-Backbone interact. energy: -4.586
local terms energy: -591.646241
where:
bonds (distance) C4'-P energy: -111.104
bonds (distance) P-C4' energy: -131.242
flat angles C4'-P-C4' energy: -133.223
flat angles P-C4'-P energy: -100.507
tors. eta vs tors. theta energy: -115.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1594.157945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.157945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.157945 (E_RNA)
where:
Base-Base interactions energy: -1032.251
where: short stacking energy: -507.974
Base-Backbone interact. energy: -1.457
local terms energy: -560.449774
where:
bonds (distance) C4'-P energy: -106.349
bonds (distance) P-C4' energy: -123.494
flat angles C4'-P-C4' energy: -126.838
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -126.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1668.048492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.048492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.048492 (E_RNA)
where:
Base-Base interactions energy: -1111.353
where: short stacking energy: -460.908
Base-Backbone interact. energy: -3.932
local terms energy: -552.763330
where:
bonds (distance) C4'-P energy: -111.007
bonds (distance) P-C4' energy: -121.858
flat angles C4'-P-C4' energy: -127.832
flat angles P-C4'-P energy: -69.435
tors. eta vs tors. theta energy: -122.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1375.141767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.141767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.141767 (E_RNA)
where:
Base-Base interactions energy: -872.804
where: short stacking energy: -420.109
Base-Backbone interact. energy: -3.351
local terms energy: -498.987075
where:
bonds (distance) C4'-P energy: -95.359
bonds (distance) P-C4' energy: -117.087
flat angles C4'-P-C4' energy: -109.578
flat angles P-C4'-P energy: -73.367
tors. eta vs tors. theta energy: -103.597
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: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1213.996683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.996683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.996683 (E_RNA)
where:
Base-Base interactions energy: -760.517
where: short stacking energy: -355.035
Base-Backbone interact. energy: 1.262
local terms energy: -454.742228
where:
bonds (distance) C4'-P energy: -86.802
bonds (distance) P-C4' energy: -120.016
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -65.452
tors. eta vs tors. theta energy: -67.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1028.115543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.115543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.115543 (E_RNA)
where:
Base-Base interactions energy: -579.441
where: short stacking energy: -304.970
Base-Backbone interact. energy: 1.228
local terms energy: -449.902133
where:
bonds (distance) C4'-P energy: -114.154
bonds (distance) P-C4' energy: -116.910
flat angles C4'-P-C4' energy: -94.948
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -49.806
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: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -844.258326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.258326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.258326 (E_RNA)
where:
Base-Base interactions energy: -448.347
where: short stacking energy: -249.876
Base-Backbone interact. energy: -2.900
local terms energy: -393.010875
where:
bonds (distance) C4'-P energy: -109.658
bonds (distance) P-C4' energy: -99.316
flat angles C4'-P-C4' energy: -106.316
flat angles P-C4'-P energy: -51.742
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -656.031609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.031609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.031609 (E_RNA)
where:
Base-Base interactions energy: -289.104
where: short stacking energy: -197.871
Base-Backbone interact. energy: 7.770
local terms energy: -374.698103
where:
bonds (distance) C4'-P energy: -108.438
bonds (distance) P-C4' energy: -107.213
flat angles C4'-P-C4' energy: -90.879
flat angles P-C4'-P energy: -63.879
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -486.164449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.164449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.164449 (E_RNA)
where:
Base-Base interactions energy: -175.777
where: short stacking energy: -137.238
Base-Backbone interact. energy: -1.665
local terms energy: -308.722232
where:
bonds (distance) C4'-P energy: -87.342
bonds (distance) P-C4' energy: -119.309
flat angles C4'-P-C4' energy: -86.004
flat angles P-C4'-P energy: -42.059
tors. eta vs tors. theta energy: 25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1907.592622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.592622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.592622 (E_RNA)
where:
Base-Base interactions energy: -1264.332
where: short stacking energy: -573.183
Base-Backbone interact. energy: -4.715
local terms energy: -638.545055
where:
bonds (distance) C4'-P energy: -127.030
bonds (distance) P-C4' energy: -123.057
flat angles C4'-P-C4' energy: -133.429
flat angles P-C4'-P energy: -97.231
tors. eta vs tors. theta energy: -157.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1814.053516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.053516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.053516 (E_RNA)
where:
Base-Base interactions energy: -1213.548
where: short stacking energy: -502.882
Base-Backbone interact. energy: -5.578
local terms energy: -594.926958
where:
bonds (distance) C4'-P energy: -119.880
bonds (distance) P-C4' energy: -134.649
flat angles C4'-P-C4' energy: -127.655
flat angles P-C4'-P energy: -89.540
tors. eta vs tors. theta energy: -123.204
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: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1673.078160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.078160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.078160 (E_RNA)
where:
Base-Base interactions energy: -1095.761
where: short stacking energy: -473.374
Base-Backbone interact. energy: -2.929
local terms energy: -574.388546
where:
bonds (distance) C4'-P energy: -121.243
bonds (distance) P-C4' energy: -130.446
flat angles C4'-P-C4' energy: -111.247
flat angles P-C4'-P energy: -86.638
tors. eta vs tors. theta energy: -124.814
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: 6
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1552.311262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.311262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.311262 (E_RNA)
where:
Base-Base interactions energy: -1019.046
where: short stacking energy: -456.234
Base-Backbone interact. energy: 0.552
local terms energy: -533.817252
where:
bonds (distance) C4'-P energy: -114.546
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -119.375
flat angles P-C4'-P energy: -75.524
tors. eta vs tors. theta energy: -112.905
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: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1421.996399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.996399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.996399 (E_RNA)
where:
Base-Base interactions energy: -867.105
where: short stacking energy: -424.185
Base-Backbone interact. energy: -0.690
local terms energy: -554.201188
where:
bonds (distance) C4'-P energy: -126.340
bonds (distance) P-C4' energy: -115.169
flat angles C4'-P-C4' energy: -118.372
flat angles P-C4'-P energy: -80.679
tors. eta vs tors. theta energy: -113.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1216.073265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.073265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.073265 (E_RNA)
where:
Base-Base interactions energy: -750.314
where: short stacking energy: -326.457
Base-Backbone interact. energy: -2.476
local terms energy: -463.283503
where:
bonds (distance) C4'-P energy: -120.651
bonds (distance) P-C4' energy: -110.655
flat angles C4'-P-C4' energy: -104.841
flat angles P-C4'-P energy: -71.960
tors. eta vs tors. theta energy: -55.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1009.924516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.924516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.924516 (E_RNA)
where:
Base-Base interactions energy: -585.761
where: short stacking energy: -323.390
Base-Backbone interact. energy: -0.898
local terms energy: -423.265579
where:
bonds (distance) C4'-P energy: -90.489
bonds (distance) P-C4' energy: -105.903
flat angles C4'-P-C4' energy: -118.064
flat angles P-C4'-P energy: -53.996
tors. eta vs tors. theta energy: -54.813
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: 5
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -858.477323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.477323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.477323 (E_RNA)
where:
Base-Base interactions energy: -494.614
where: short stacking energy: -253.017
Base-Backbone interact. energy: 0.944
local terms energy: -364.807738
where:
bonds (distance) C4'-P energy: -91.785
bonds (distance) P-C4' energy: -125.843
flat angles C4'-P-C4' energy: -93.745
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -608.789588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.789588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.789588 (E_RNA)
where:
Base-Base interactions energy: -247.940
where: short stacking energy: -170.739
Base-Backbone interact. energy: -2.857
local terms energy: -357.992174
where:
bonds (distance) C4'-P energy: -112.560
bonds (distance) P-C4' energy: -118.738
flat angles C4'-P-C4' energy: -85.216
flat angles P-C4'-P energy: -57.645
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: 10, replica: 3
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -515.009072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.009072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.009072 (E_RNA)
where:
Base-Base interactions energy: -164.744
where: short stacking energy: -132.725
Base-Backbone interact. energy: 0.142
local terms energy: -350.406988
where:
bonds (distance) C4'-P energy: -104.685
bonds (distance) P-C4' energy: -103.830
flat angles C4'-P-C4' energy: -99.319
flat angles P-C4'-P energy: -50.244
tors. eta vs tors. theta energy: 7.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1909.516230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.516230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.516230 (E_RNA)
where:
Base-Base interactions energy: -1258.125
where: short stacking energy: -578.865
Base-Backbone interact. energy: -2.493
local terms energy: -648.898491
where:
bonds (distance) C4'-P energy: -133.187
bonds (distance) P-C4' energy: -128.657
flat angles C4'-P-C4' energy: -138.187
flat angles P-C4'-P energy: -94.531
tors. eta vs tors. theta energy: -154.337
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: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1817.556379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.556379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.556379 (E_RNA)
where:
Base-Base interactions energy: -1222.366
where: short stacking energy: -522.898
Base-Backbone interact. energy: -5.045
local terms energy: -590.145422
where:
bonds (distance) C4'-P energy: -128.274
bonds (distance) P-C4' energy: -116.385
flat angles C4'-P-C4' energy: -133.263
flat angles P-C4'-P energy: -97.175
tors. eta vs tors. theta energy: -115.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1745.683338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.683338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.683338 (E_RNA)
where:
Base-Base interactions energy: -1125.249
where: short stacking energy: -524.390
Base-Backbone interact. energy: -3.934
local terms energy: -616.501162
where:
bonds (distance) C4'-P energy: -119.847
bonds (distance) P-C4' energy: -134.570
flat angles C4'-P-C4' energy: -126.921
flat angles P-C4'-P energy: -86.992
tors. eta vs tors. theta energy: -148.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1516.114725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.114725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.114725 (E_RNA)
where:
Base-Base interactions energy: -969.062
where: short stacking energy: -444.532
Base-Backbone interact. energy: -1.459
local terms energy: -545.594012
where:
bonds (distance) C4'-P energy: -123.606
bonds (distance) P-C4' energy: -127.162
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -75.322
tors. eta vs tors. theta energy: -101.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1412.810636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.810636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.810636 (E_RNA)
where:
Base-Base interactions energy: -887.829
where: short stacking energy: -444.893
Base-Backbone interact. energy: -0.911
local terms energy: -524.070516
where:
bonds (distance) C4'-P energy: -99.579
bonds (distance) P-C4' energy: -113.597
flat angles C4'-P-C4' energy: -124.650
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -108.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1255.816876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.816876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.816876 (E_RNA)
where:
Base-Base interactions energy: -766.302
where: short stacking energy: -361.003
Base-Backbone interact. energy: -1.303
local terms energy: -488.212175
where:
bonds (distance) C4'-P energy: -118.600
bonds (distance) P-C4' energy: -113.677
flat angles C4'-P-C4' energy: -106.957
flat angles P-C4'-P energy: -70.777
tors. eta vs tors. theta energy: -78.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1073.012352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.012352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.012352 (E_RNA)
where:
Base-Base interactions energy: -606.906
where: short stacking energy: -294.466
Base-Backbone interact. energy: 10.863
local terms energy: -476.968813
where:
bonds (distance) C4'-P energy: -111.616
bonds (distance) P-C4' energy: -115.968
flat angles C4'-P-C4' energy: -115.829
flat angles P-C4'-P energy: -74.100
tors. eta vs tors. theta energy: -59.456
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -850.257448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.257448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.257448 (E_RNA)
where:
Base-Base interactions energy: -459.292
where: short stacking energy: -248.599
Base-Backbone interact. energy: 1.010
local terms energy: -391.976390
where:
bonds (distance) C4'-P energy: -97.814
bonds (distance) P-C4' energy: -117.543
flat angles C4'-P-C4' energy: -91.718
flat angles P-C4'-P energy: -62.609
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -610.627183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.627183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.627183 (E_RNA)
where:
Base-Base interactions energy: -283.174
where: short stacking energy: -212.786
Base-Backbone interact. energy: 0.638
local terms energy: -328.091637
where:
bonds (distance) C4'-P energy: -96.685
bonds (distance) P-C4' energy: -97.844
flat angles C4'-P-C4' energy: -91.118
flat angles P-C4'-P energy: -41.590
tors. eta vs tors. theta energy: -0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -464.093651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.093651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.093651 (E_RNA)
where:
Base-Base interactions energy: -182.667
where: short stacking energy: -156.529
Base-Backbone interact. energy: 3.097
local terms energy: -284.524522
where:
bonds (distance) C4'-P energy: -81.217
bonds (distance) P-C4' energy: -108.629
flat angles C4'-P-C4' energy: -84.873
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: 27.279
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: 4
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1901.237688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.237688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.237688 (E_RNA)
where:
Base-Base interactions energy: -1269.813
where: short stacking energy: -534.837
Base-Backbone interact. energy: -1.833
local terms energy: -629.591425
where:
bonds (distance) C4'-P energy: -118.897
bonds (distance) P-C4' energy: -126.323
flat angles C4'-P-C4' energy: -139.203
flat angles P-C4'-P energy: -102.913
tors. eta vs tors. theta energy: -142.256
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: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1826.805461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.805461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.805461 (E_RNA)
where:
Base-Base interactions energy: -1227.748
where: short stacking energy: -486.291
Base-Backbone interact. energy: -5.768
local terms energy: -593.289273
where:
bonds (distance) C4'-P energy: -132.303
bonds (distance) P-C4' energy: -120.453
flat angles C4'-P-C4' energy: -136.635
flat angles P-C4'-P energy: -86.535
tors. eta vs tors. theta energy: -117.363
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: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1732.621394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.621394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.621394 (E_RNA)
where:
Base-Base interactions energy: -1150.094
where: short stacking energy: -493.803
Base-Backbone interact. energy: 1.166
local terms energy: -583.693440
where:
bonds (distance) C4'-P energy: -108.209
bonds (distance) P-C4' energy: -127.359
flat angles C4'-P-C4' energy: -122.333
flat angles P-C4'-P energy: -93.337
tors. eta vs tors. theta energy: -132.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1533.619415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.619415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.619415 (E_RNA)
where:
Base-Base interactions energy: -988.286
where: short stacking energy: -447.723
Base-Backbone interact. energy: -2.012
local terms energy: -543.321054
where:
bonds (distance) C4'-P energy: -115.688
bonds (distance) P-C4' energy: -109.903
flat angles C4'-P-C4' energy: -124.358
flat angles P-C4'-P energy: -77.130
tors. eta vs tors. theta energy: -116.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1448.987013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.987013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.987013 (E_RNA)
where:
Base-Base interactions energy: -898.300
where: short stacking energy: -452.254
Base-Backbone interact. energy: -2.890
local terms energy: -547.796952
where:
bonds (distance) C4'-P energy: -116.591
bonds (distance) P-C4' energy: -107.684
flat angles C4'-P-C4' energy: -124.879
flat angles P-C4'-P energy: -77.300
tors. eta vs tors. theta energy: -121.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1266.738180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.738180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.738180 (E_RNA)
where:
Base-Base interactions energy: -786.240
where: short stacking energy: -362.699
Base-Backbone interact. energy: -4.631
local terms energy: -475.867406
where:
bonds (distance) C4'-P energy: -104.278
bonds (distance) P-C4' energy: -114.990
flat angles C4'-P-C4' energy: -98.193
flat angles P-C4'-P energy: -74.886
tors. eta vs tors. theta energy: -83.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1154.524537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.524537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.524537 (E_RNA)
where:
Base-Base interactions energy: -701.392
where: short stacking energy: -355.067
Base-Backbone interact. energy: -1.992
local terms energy: -451.140529
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -111.208
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -56.324
tors. eta vs tors. theta energy: -81.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -834.445361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.445361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.445361 (E_RNA)
where:
Base-Base interactions energy: -432.387
where: short stacking energy: -227.490
Base-Backbone interact. energy: -0.025
local terms energy: -402.032845
where:
bonds (distance) C4'-P energy: -127.401
bonds (distance) P-C4' energy: -111.991
flat angles C4'-P-C4' energy: -83.092
flat angles P-C4'-P energy: -55.153
tors. eta vs tors. theta energy: -24.396
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: 3
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -574.830247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.830247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.830247 (E_RNA)
where:
Base-Base interactions energy: -252.404
where: short stacking energy: -171.824
Base-Backbone interact. energy: 4.900
local terms energy: -327.326662
where:
bonds (distance) C4'-P energy: -88.674
bonds (distance) P-C4' energy: -98.625
flat angles C4'-P-C4' energy: -90.915
flat angles P-C4'-P energy: -58.447
tors. eta vs tors. theta energy: 9.335
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: 2
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -579.855592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.855592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.855592 (E_RNA)
where:
Base-Base interactions energy: -239.266
where: short stacking energy: -149.488
Base-Backbone interact. energy: 7.441
local terms energy: -348.030030
where:
bonds (distance) C4'-P energy: -113.620
bonds (distance) P-C4' energy: -105.566
flat angles C4'-P-C4' energy: -92.376
flat angles P-C4'-P energy: -62.186
tors. eta vs tors. theta energy: 25.718
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: 4
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1923.150192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.150192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.150192 (E_RNA)
where:
Base-Base interactions energy: -1299.105
where: short stacking energy: -584.066
Base-Backbone interact. energy: -0.070
local terms energy: -623.974356
where:
bonds (distance) C4'-P energy: -128.491
bonds (distance) P-C4' energy: -122.634
flat angles C4'-P-C4' energy: -118.495
flat angles P-C4'-P energy: -89.974
tors. eta vs tors. theta energy: -164.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1885.322937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.322937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.322937 (E_RNA)
where:
Base-Base interactions energy: -1272.015
where: short stacking energy: -551.400
Base-Backbone interact. energy: -1.999
local terms energy: -611.308779
where:
bonds (distance) C4'-P energy: -105.978
bonds (distance) P-C4' energy: -127.665
flat angles C4'-P-C4' energy: -143.935
flat angles P-C4'-P energy: -94.832
tors. eta vs tors. theta energy: -138.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1710.659232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.659232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.659232 (E_RNA)
where:
Base-Base interactions energy: -1140.674
where: short stacking energy: -506.649
Base-Backbone interact. energy: -1.776
local terms energy: -568.209281
where:
bonds (distance) C4'-P energy: -113.854
bonds (distance) P-C4' energy: -113.582
flat angles C4'-P-C4' energy: -122.224
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -133.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1554.565906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.565906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.565906 (E_RNA)
where:
Base-Base interactions energy: -1015.119
where: short stacking energy: -461.024
Base-Backbone interact. energy: 0.287
local terms energy: -539.734035
where:
bonds (distance) C4'-P energy: -96.931
bonds (distance) P-C4' energy: -116.657
flat angles C4'-P-C4' energy: -131.452
flat angles P-C4'-P energy: -73.893
tors. eta vs tors. theta energy: -120.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1427.696719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.696719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.696719 (E_RNA)
where:
Base-Base interactions energy: -913.735
where: short stacking energy: -408.370
Base-Backbone interact. energy: -2.896
local terms energy: -511.066091
where:
bonds (distance) C4'-P energy: -118.109
bonds (distance) P-C4' energy: -108.560
flat angles C4'-P-C4' energy: -112.656
flat angles P-C4'-P energy: -73.422
tors. eta vs tors. theta energy: -98.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1316.631436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.631436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.631436 (E_RNA)
where:
Base-Base interactions energy: -832.757
where: short stacking energy: -382.772
Base-Backbone interact. energy: 0.225
local terms energy: -484.099772
where:
bonds (distance) C4'-P energy: -109.480
bonds (distance) P-C4' energy: -114.440
flat angles C4'-P-C4' energy: -107.497
flat angles P-C4'-P energy: -67.169
tors. eta vs tors. theta energy: -85.514
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: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1057.007756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.007756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.007756 (E_RNA)
where:
Base-Base interactions energy: -637.536
where: short stacking energy: -309.066
Base-Backbone interact. energy: 0.650
local terms energy: -420.121845
where:
bonds (distance) C4'-P energy: -106.933
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -97.640
flat angles P-C4'-P energy: -65.726
tors. eta vs tors. theta energy: -41.837
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: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -846.757306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.757306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.757306 (E_RNA)
where:
Base-Base interactions energy: -465.086
where: short stacking energy: -237.503
Base-Backbone interact. energy: -0.996
local terms energy: -380.675343
where:
bonds (distance) C4'-P energy: -95.052
bonds (distance) P-C4' energy: -110.323
flat angles C4'-P-C4' energy: -93.693
flat angles P-C4'-P energy: -59.152
tors. eta vs tors. theta energy: -22.455
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: 3
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -581.436346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.436346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.436346 (E_RNA)
where:
Base-Base interactions energy: -246.310
where: short stacking energy: -169.244
Base-Backbone interact. energy: 3.572
local terms energy: -338.698483
where:
bonds (distance) C4'-P energy: -90.549
bonds (distance) P-C4' energy: -106.193
flat angles C4'-P-C4' energy: -100.550
flat angles P-C4'-P energy: -53.589
tors. eta vs tors. theta energy: 12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -566.697579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.697579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.697579 (E_RNA)
where:
Base-Base interactions energy: -259.560
where: short stacking energy: -177.997
Base-Backbone interact. energy: 0.131
local terms energy: -307.268910
where:
bonds (distance) C4'-P energy: -87.144
bonds (distance) P-C4' energy: -94.694
flat angles C4'-P-C4' energy: -95.067
flat angles P-C4'-P energy: -32.154
tors. eta vs tors. theta energy: 1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1952.358092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.358092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.358092 (E_RNA)
where:
Base-Base interactions energy: -1322.657
where: short stacking energy: -591.090
Base-Backbone interact. energy: -2.847
local terms energy: -626.854567
where:
bonds (distance) C4'-P energy: -117.130
bonds (distance) P-C4' energy: -130.390
flat angles C4'-P-C4' energy: -126.886
flat angles P-C4'-P energy: -90.927
tors. eta vs tors. theta energy: -161.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1841.676435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.676435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.676435 (E_RNA)
where:
Base-Base interactions energy: -1229.849
where: short stacking energy: -546.919
Base-Backbone interact. energy: -2.439
local terms energy: -609.388593
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -117.755
flat angles C4'-P-C4' energy: -126.828
flat angles P-C4'-P energy: -100.064
tors. eta vs tors. theta energy: -143.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1746.446318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.446318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.446318 (E_RNA)
where:
Base-Base interactions energy: -1136.868
where: short stacking energy: -525.679
Base-Backbone interact. energy: 0.078
local terms energy: -609.657240
where:
bonds (distance) C4'-P energy: -121.103
bonds (distance) P-C4' energy: -125.313
flat angles C4'-P-C4' energy: -124.663
flat angles P-C4'-P energy: -88.722
tors. eta vs tors. theta energy: -149.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1566.941267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.941267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.941267 (E_RNA)
where:
Base-Base interactions energy: -1016.914
where: short stacking energy: -443.606
Base-Backbone interact. energy: -2.740
local terms energy: -547.287885
where:
bonds (distance) C4'-P energy: -106.451
bonds (distance) P-C4' energy: -116.228
flat angles C4'-P-C4' energy: -116.206
flat angles P-C4'-P energy: -85.786
tors. eta vs tors. theta energy: -122.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1353.447810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.447810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.447810 (E_RNA)
where:
Base-Base interactions energy: -818.953
where: short stacking energy: -407.285
Base-Backbone interact. energy: 0.404
local terms energy: -534.899393
where:
bonds (distance) C4'-P energy: -121.252
bonds (distance) P-C4' energy: -115.249
flat angles C4'-P-C4' energy: -122.099
flat angles P-C4'-P energy: -72.993
tors. eta vs tors. theta energy: -103.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1249.565276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.565276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.565276 (E_RNA)
where:
Base-Base interactions energy: -769.320
where: short stacking energy: -356.359
Base-Backbone interact. energy: -1.558
local terms energy: -478.686466
where:
bonds (distance) C4'-P energy: -101.530
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -69.887
tors. eta vs tors. theta energy: -70.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1086.168408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.168408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.168408 (E_RNA)
where:
Base-Base interactions energy: -672.980
where: short stacking energy: -295.399
Base-Backbone interact. energy: -2.601
local terms energy: -410.588054
where:
bonds (distance) C4'-P energy: -89.147
bonds (distance) P-C4' energy: -111.281
flat angles C4'-P-C4' energy: -102.260
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -44.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -791.653817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.653817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.653817 (E_RNA)
where:
Base-Base interactions energy: -426.657
where: short stacking energy: -238.383
Base-Backbone interact. energy: 2.917
local terms energy: -367.913445
where:
bonds (distance) C4'-P energy: -107.072
bonds (distance) P-C4' energy: -101.286
flat angles C4'-P-C4' energy: -79.447
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -611.892811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.892811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.892811 (E_RNA)
where:
Base-Base interactions energy: -269.120
where: short stacking energy: -151.341
Base-Backbone interact. energy: 1.560
local terms energy: -344.332427
where:
bonds (distance) C4'-P energy: -106.830
bonds (distance) P-C4' energy: -109.181
flat angles C4'-P-C4' energy: -90.423
flat angles P-C4'-P energy: -60.629
tors. eta vs tors. theta energy: 22.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -520.000320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.000320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.000320 (E_RNA)
where:
Base-Base interactions energy: -239.741
where: short stacking energy: -148.167
Base-Backbone interact. energy: -1.275
local terms energy: -278.984548
where:
bonds (distance) C4'-P energy: -85.018
bonds (distance) P-C4' energy: -117.353
flat angles C4'-P-C4' energy: -72.800
flat angles P-C4'-P energy: -28.245
tors. eta vs tors. theta energy: 24.432
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: 1, replica: 4
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1932.857739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.857739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.857739 (E_RNA)
where:
Base-Base interactions energy: -1294.102
where: short stacking energy: -552.746
Base-Backbone interact. energy: -1.514
local terms energy: -637.242623
where:
bonds (distance) C4'-P energy: -127.991
bonds (distance) P-C4' energy: -111.748
flat angles C4'-P-C4' energy: -145.175
flat angles P-C4'-P energy: -96.405
tors. eta vs tors. theta energy: -155.924
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: 2, replica: 9
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1835.774555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.774555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.774555 (E_RNA)
where:
Base-Base interactions energy: -1233.850
where: short stacking energy: -539.036
Base-Backbone interact. energy: -4.576
local terms energy: -597.348367
where:
bonds (distance) C4'-P energy: -126.740
bonds (distance) P-C4' energy: -128.699
flat angles C4'-P-C4' energy: -121.306
flat angles P-C4'-P energy: -82.303
tors. eta vs tors. theta energy: -138.301
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: 10
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1771.256826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.256826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.256826 (E_RNA)
where:
Base-Base interactions energy: -1160.624
where: short stacking energy: -562.516
Base-Backbone interact. energy: -2.729
local terms energy: -607.903285
where:
bonds (distance) C4'-P energy: -115.969
bonds (distance) P-C4' energy: -126.503
flat angles C4'-P-C4' energy: -125.438
flat angles P-C4'-P energy: -91.351
tors. eta vs tors. theta energy: -148.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1570.725626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.725626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.725626 (E_RNA)
where:
Base-Base interactions energy: -1028.104
where: short stacking energy: -467.727
Base-Backbone interact. energy: -2.230
local terms energy: -540.390753
where:
bonds (distance) C4'-P energy: -102.001
bonds (distance) P-C4' energy: -112.728
flat angles C4'-P-C4' energy: -138.984
flat angles P-C4'-P energy: -72.746
tors. eta vs tors. theta energy: -113.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1388.068228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.068228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.068228 (E_RNA)
where:
Base-Base interactions energy: -881.764
where: short stacking energy: -433.839
Base-Backbone interact. energy: -0.678
local terms energy: -505.626013
where:
bonds (distance) C4'-P energy: -94.419
bonds (distance) P-C4' energy: -111.061
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -67.077
tors. eta vs tors. theta energy: -116.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1328.071680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.071680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.071680 (E_RNA)
where:
Base-Base interactions energy: -855.442
where: short stacking energy: -390.260
Base-Backbone interact. energy: -3.724
local terms energy: -468.905619
where:
bonds (distance) C4'-P energy: -90.925
bonds (distance) P-C4' energy: -117.378
flat angles C4'-P-C4' energy: -103.611
flat angles P-C4'-P energy: -76.515
tors. eta vs tors. theta energy: -80.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1085.502372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.502372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.502372 (E_RNA)
where:
Base-Base interactions energy: -664.119
where: short stacking energy: -331.970
Base-Backbone interact. energy: -0.387
local terms energy: -420.995957
where:
bonds (distance) C4'-P energy: -103.171
bonds (distance) P-C4' energy: -116.002
flat angles C4'-P-C4' energy: -95.498
flat angles P-C4'-P energy: -58.984
tors. eta vs tors. theta energy: -47.342
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: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -872.207136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.207136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.207136 (E_RNA)
where:
Base-Base interactions energy: -466.761
where: short stacking energy: -238.034
Base-Backbone interact. energy: -2.055
local terms energy: -403.390484
where:
bonds (distance) C4'-P energy: -99.889
bonds (distance) P-C4' energy: -105.531
flat angles C4'-P-C4' energy: -109.007
flat angles P-C4'-P energy: -66.630
tors. eta vs tors. theta energy: -22.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -610.952649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.952649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.952649 (E_RNA)
where:
Base-Base interactions energy: -282.196
where: short stacking energy: -163.505
Base-Backbone interact. energy: -0.647
local terms energy: -328.109990
where:
bonds (distance) C4'-P energy: -94.656
bonds (distance) P-C4' energy: -109.287
flat angles C4'-P-C4' energy: -121.068
flat angles P-C4'-P energy: -34.882
tors. eta vs tors. theta energy: 31.784
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: 3
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -557.769773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.769773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.769773 (E_RNA)
where:
Base-Base interactions energy: -223.877
where: short stacking energy: -189.689
Base-Backbone interact. energy: -0.641
local terms energy: -333.252129
where:
bonds (distance) C4'-P energy: -82.696
bonds (distance) P-C4' energy: -107.189
flat angles C4'-P-C4' energy: -95.504
flat angles P-C4'-P energy: -52.413
tors. eta vs tors. theta energy: 4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1952.350264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.350264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.350264 (E_RNA)
where:
Base-Base interactions energy: -1313.926
where: short stacking energy: -603.526
Base-Backbone interact. energy: 0.208
local terms energy: -638.632249
where:
bonds (distance) C4'-P energy: -126.348
bonds (distance) P-C4' energy: -116.970
flat angles C4'-P-C4' energy: -140.567
flat angles P-C4'-P energy: -94.859
tors. eta vs tors. theta energy: -159.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1853.249692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.249692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.249692 (E_RNA)
where:
Base-Base interactions energy: -1230.344
where: short stacking energy: -540.274
Base-Backbone interact. energy: -5.437
local terms energy: -617.468261
where:
bonds (distance) C4'-P energy: -109.029
bonds (distance) P-C4' energy: -139.390
flat angles C4'-P-C4' energy: -127.100
flat angles P-C4'-P energy: -96.895
tors. eta vs tors. theta energy: -145.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1670.124841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.124841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.124841 (E_RNA)
where:
Base-Base interactions energy: -1107.468
where: short stacking energy: -484.857
Base-Backbone interact. energy: -3.469
local terms energy: -559.187707
where:
bonds (distance) C4'-P energy: -127.254
bonds (distance) P-C4' energy: -125.748
flat angles C4'-P-C4' energy: -120.965
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -121.794
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: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1573.728711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.728711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.728711 (E_RNA)
where:
Base-Base interactions energy: -1021.133
where: short stacking energy: -467.040
Base-Backbone interact. energy: 0.457
local terms energy: -553.052795
where:
bonds (distance) C4'-P energy: -116.392
bonds (distance) P-C4' energy: -118.838
flat angles C4'-P-C4' energy: -120.680
flat angles P-C4'-P energy: -68.455
tors. eta vs tors. theta energy: -128.688
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: 5, replica: 1
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1362.387104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.387104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.387104 (E_RNA)
where:
Base-Base interactions energy: -862.913
where: short stacking energy: -395.812
Base-Backbone interact. energy: -0.001
local terms energy: -499.472536
where:
bonds (distance) C4'-P energy: -100.854
bonds (distance) P-C4' energy: -127.286
flat angles C4'-P-C4' energy: -121.424
flat angles P-C4'-P energy: -60.072
tors. eta vs tors. theta energy: -89.836
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: 8
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1376.799433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.799433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.799433 (E_RNA)
where:
Base-Base interactions energy: -865.427
where: short stacking energy: -398.863
Base-Backbone interact. energy: -1.649
local terms energy: -509.723475
where:
bonds (distance) C4'-P energy: -112.965
bonds (distance) P-C4' energy: -119.588
flat angles C4'-P-C4' energy: -112.671
flat angles P-C4'-P energy: -69.815
tors. eta vs tors. theta energy: -94.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1084.409237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.409237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.409237 (E_RNA)
where:
Base-Base interactions energy: -639.482
where: short stacking energy: -303.958
Base-Backbone interact. energy: 1.346
local terms energy: -446.273230
where:
bonds (distance) C4'-P energy: -116.167
bonds (distance) P-C4' energy: -103.236
flat angles C4'-P-C4' energy: -101.639
flat angles P-C4'-P energy: -77.272
tors. eta vs tors. theta energy: -47.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -834.867064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.867064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.867064 (E_RNA)
where:
Base-Base interactions energy: -419.191
where: short stacking energy: -260.901
Base-Backbone interact. energy: -0.282
local terms energy: -415.394135
where:
bonds (distance) C4'-P energy: -100.896
bonds (distance) P-C4' energy: -121.339
flat angles C4'-P-C4' energy: -108.795
flat angles P-C4'-P energy: -53.727
tors. eta vs tors. theta energy: -30.637
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: 2
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -578.078148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.078148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.078148 (E_RNA)
where:
Base-Base interactions energy: -246.839
where: short stacking energy: -161.894
Base-Backbone interact. energy: -4.680
local terms energy: -326.559826
where:
bonds (distance) C4'-P energy: -90.218
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -87.307
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: 12.763
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: 3
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -498.200591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.200591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.200591 (E_RNA)
where:
Base-Base interactions energy: -184.948
where: short stacking energy: -145.752
Base-Backbone interact. energy: 3.913
local terms energy: -317.165635
where:
bonds (distance) C4'-P energy: -97.344
bonds (distance) P-C4' energy: -106.896
flat angles C4'-P-C4' energy: -80.191
flat angles P-C4'-P energy: -46.374
tors. eta vs tors. theta energy: 13.639
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: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1937.133436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.133436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.133436 (E_RNA)
where:
Base-Base interactions energy: -1293.807
where: short stacking energy: -590.909
Base-Backbone interact. energy: 1.634
local terms energy: -644.960181
where:
bonds (distance) C4'-P energy: -117.748
bonds (distance) P-C4' energy: -130.626
flat angles C4'-P-C4' energy: -136.800
flat angles P-C4'-P energy: -90.698
tors. eta vs tors. theta energy: -169.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1855.016484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.016484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.016484 (E_RNA)
where:
Base-Base interactions energy: -1222.178
where: short stacking energy: -531.914
Base-Backbone interact. energy: 1.120
local terms energy: -633.958341
where:
bonds (distance) C4'-P energy: -125.583
bonds (distance) P-C4' energy: -137.836
flat angles C4'-P-C4' energy: -140.871
flat angles P-C4'-P energy: -90.934
tors. eta vs tors. theta energy: -138.734
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: 49
Temperature: 1.000000
Total energy: -1637.838563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.838563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.838563 (E_RNA)
where:
Base-Base interactions energy: -1045.518
where: short stacking energy: -517.556
Base-Backbone interact. energy: -3.582
local terms energy: -588.738458
where:
bonds (distance) C4'-P energy: -109.748
bonds (distance) P-C4' energy: -122.911
flat angles C4'-P-C4' energy: -136.802
flat angles P-C4'-P energy: -86.679
tors. eta vs tors. theta energy: -132.598
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: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1578.708241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.708241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.708241 (E_RNA)
where:
Base-Base interactions energy: -1014.134
where: short stacking energy: -464.288
Base-Backbone interact. energy: -3.451
local terms energy: -561.122948
where:
bonds (distance) C4'-P energy: -127.083
bonds (distance) P-C4' energy: -118.165
flat angles C4'-P-C4' energy: -128.968
flat angles P-C4'-P energy: -74.669
tors. eta vs tors. theta energy: -112.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1397.630754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.630754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.630754 (E_RNA)
where:
Base-Base interactions energy: -853.675
where: short stacking energy: -390.418
Base-Backbone interact. energy: -2.675
local terms energy: -541.280133
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -116.499
flat angles C4'-P-C4' energy: -122.630
flat angles P-C4'-P energy: -86.959
tors. eta vs tors. theta energy: -103.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1359.344780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.344780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.344780 (E_RNA)
where:
Base-Base interactions energy: -868.615
where: short stacking energy: -410.411
Base-Backbone interact. energy: 0.404
local terms energy: -491.133861
where:
bonds (distance) C4'-P energy: -108.827
bonds (distance) P-C4' energy: -120.572
flat angles C4'-P-C4' energy: -104.600
flat angles P-C4'-P energy: -65.961
tors. eta vs tors. theta energy: -91.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1146.007511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.007511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.007511 (E_RNA)
where:
Base-Base interactions energy: -688.998
where: short stacking energy: -316.382
Base-Backbone interact. energy: 0.370
local terms energy: -457.379941
where:
bonds (distance) C4'-P energy: -107.783
bonds (distance) P-C4' energy: -111.654
flat angles C4'-P-C4' energy: -103.947
flat angles P-C4'-P energy: -73.443
tors. eta vs tors. theta energy: -60.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -819.504676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.504676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.504676 (E_RNA)
where:
Base-Base interactions energy: -416.141
where: short stacking energy: -250.231
Base-Backbone interact. energy: 1.808
local terms energy: -405.171087
where:
bonds (distance) C4'-P energy: -97.116
bonds (distance) P-C4' energy: -110.545
flat angles C4'-P-C4' energy: -103.156
flat angles P-C4'-P energy: -58.603
tors. eta vs tors. theta energy: -35.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -590.346294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.346294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.346294 (E_RNA)
where:
Base-Base interactions energy: -270.567
where: short stacking energy: -173.714
Base-Backbone interact. energy: 3.509
local terms energy: -323.288808
where:
bonds (distance) C4'-P energy: -110.107
bonds (distance) P-C4' energy: -109.042
flat angles C4'-P-C4' energy: -74.660
flat angles P-C4'-P energy: -55.224
tors. eta vs tors. theta energy: 25.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -505.095641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.095641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.095641 (E_RNA)
where:
Base-Base interactions energy: -174.399
where: short stacking energy: -129.174
Base-Backbone interact. energy: 8.269
local terms energy: -338.965722
where:
bonds (distance) C4'-P energy: -110.531
bonds (distance) P-C4' energy: -117.698
flat angles C4'-P-C4' energy: -75.613
flat angles P-C4'-P energy: -61.711
tors. eta vs tors. theta energy: 26.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1929.411046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.411046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.411046 (E_RNA)
where:
Base-Base interactions energy: -1288.075
where: short stacking energy: -583.437
Base-Backbone interact. energy: -0.915
local terms energy: -640.420930
where:
bonds (distance) C4'-P energy: -125.940
bonds (distance) P-C4' energy: -120.973
flat angles C4'-P-C4' energy: -143.108
flat angles P-C4'-P energy: -83.857
tors. eta vs tors. theta energy: -166.543
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: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1891.724033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.724033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.724033 (E_RNA)
where:
Base-Base interactions energy: -1298.953
where: short stacking energy: -546.034
Base-Backbone interact. energy: -2.254
local terms energy: -590.517037
where:
bonds (distance) C4'-P energy: -109.184
bonds (distance) P-C4' energy: -128.211
flat angles C4'-P-C4' energy: -141.788
flat angles P-C4'-P energy: -70.890
tors. eta vs tors. theta energy: -140.443
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: 10
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1611.907834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.907834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.907834 (E_RNA)
where:
Base-Base interactions energy: -1045.031
where: short stacking energy: -468.382
Base-Backbone interact. energy: -0.825
local terms energy: -566.051725
where:
bonds (distance) C4'-P energy: -118.506
bonds (distance) P-C4' energy: -114.841
flat angles C4'-P-C4' energy: -125.305
flat angles P-C4'-P energy: -84.219
tors. eta vs tors. theta energy: -123.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1532.654567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.654567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.654567 (E_RNA)
where:
Base-Base interactions energy: -986.677
where: short stacking energy: -441.527
Base-Backbone interact. energy: -3.195
local terms energy: -542.782712
where:
bonds (distance) C4'-P energy: -112.536
bonds (distance) P-C4' energy: -129.614
flat angles C4'-P-C4' energy: -127.821
flat angles P-C4'-P energy: -66.379
tors. eta vs tors. theta energy: -106.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1472.688135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.688135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.688135 (E_RNA)
where:
Base-Base interactions energy: -915.224
where: short stacking energy: -458.967
Base-Backbone interact. energy: 1.962
local terms energy: -559.426493
where:
bonds (distance) C4'-P energy: -117.964
bonds (distance) P-C4' energy: -109.925
flat angles C4'-P-C4' energy: -120.726
flat angles P-C4'-P energy: -84.116
tors. eta vs tors. theta energy: -126.696
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: 8
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1370.681661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.681661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.681661 (E_RNA)
where:
Base-Base interactions energy: -880.206
where: short stacking energy: -409.967
Base-Backbone interact. energy: -1.132
local terms energy: -489.343200
where:
bonds (distance) C4'-P energy: -110.621
bonds (distance) P-C4' energy: -110.971
flat angles C4'-P-C4' energy: -111.970
flat angles P-C4'-P energy: -74.836
tors. eta vs tors. theta energy: -80.945
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1131.351810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.351810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.351810 (E_RNA)
where:
Base-Base interactions energy: -697.294
where: short stacking energy: -332.275
Base-Backbone interact. energy: 2.319
local terms energy: -436.377225
where:
bonds (distance) C4'-P energy: -102.476
bonds (distance) P-C4' energy: -115.798
flat angles C4'-P-C4' energy: -95.851
flat angles P-C4'-P energy: -55.492
tors. eta vs tors. theta energy: -66.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -832.400634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.400634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.400634 (E_RNA)
where:
Base-Base interactions energy: -466.100
where: short stacking energy: -236.598
Base-Backbone interact. energy: 1.054
local terms energy: -367.354408
where:
bonds (distance) C4'-P energy: -89.623
bonds (distance) P-C4' energy: -98.649
flat angles C4'-P-C4' energy: -104.999
flat angles P-C4'-P energy: -52.394
tors. eta vs tors. theta energy: -21.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -594.417764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.417764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.417764 (E_RNA)
where:
Base-Base interactions energy: -238.857
where: short stacking energy: -153.120
Base-Backbone interact. energy: -1.937
local terms energy: -353.623771
where:
bonds (distance) C4'-P energy: -94.358
bonds (distance) P-C4' energy: -124.823
flat angles C4'-P-C4' energy: -79.148
flat angles P-C4'-P energy: -65.282
tors. eta vs tors. theta energy: 9.987
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: 3
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -489.955440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.955440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.955440 (E_RNA)
where:
Base-Base interactions energy: -166.961
where: short stacking energy: -134.321
Base-Backbone interact. energy: 6.209
local terms energy: -329.202559
where:
bonds (distance) C4'-P energy: -100.452
bonds (distance) P-C4' energy: -100.343
flat angles C4'-P-C4' energy: -90.071
flat angles P-C4'-P energy: -63.032
tors. eta vs tors. theta energy: 24.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1940.473029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.473029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.473029 (E_RNA)
where:
Base-Base interactions energy: -1323.534
where: short stacking energy: -577.517
Base-Backbone interact. energy: -0.595
local terms energy: -616.344119
where:
bonds (distance) C4'-P energy: -126.162
bonds (distance) P-C4' energy: -124.574
flat angles C4'-P-C4' energy: -133.191
flat angles P-C4'-P energy: -83.074
tors. eta vs tors. theta energy: -149.343
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: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1859.769866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.769866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.769866 (E_RNA)
where:
Base-Base interactions energy: -1228.801
where: short stacking energy: -519.306
Base-Backbone interact. energy: -1.353
local terms energy: -629.616338
where:
bonds (distance) C4'-P energy: -128.221
bonds (distance) P-C4' energy: -133.311
flat angles C4'-P-C4' energy: -134.696
flat angles P-C4'-P energy: -92.566
tors. eta vs tors. theta energy: -140.823
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: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1652.702692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.702692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.702692 (E_RNA)
where:
Base-Base interactions energy: -1088.168
where: short stacking energy: -505.459
Base-Backbone interact. energy: -2.300
local terms energy: -562.234953
where:
bonds (distance) C4'-P energy: -110.497
bonds (distance) P-C4' energy: -104.232
flat angles C4'-P-C4' energy: -121.652
flat angles P-C4'-P energy: -99.147
tors. eta vs tors. theta energy: -126.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1588.854183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.854183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.854183 (E_RNA)
where:
Base-Base interactions energy: -1023.631
where: short stacking energy: -465.314
Base-Backbone interact. energy: -4.910
local terms energy: -560.313288
where:
bonds (distance) C4'-P energy: -116.118
bonds (distance) P-C4' energy: -123.195
flat angles C4'-P-C4' energy: -128.967
flat angles P-C4'-P energy: -89.806
tors. eta vs tors. theta energy: -102.228
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: 1
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1462.247068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.247068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.247068 (E_RNA)
where:
Base-Base interactions energy: -954.723
where: short stacking energy: -437.276
Base-Backbone interact. energy: -1.397
local terms energy: -506.127646
where:
bonds (distance) C4'-P energy: -101.515
bonds (distance) P-C4' energy: -115.992
flat angles C4'-P-C4' energy: -105.463
flat angles P-C4'-P energy: -74.708
tors. eta vs tors. theta energy: -108.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1443.007161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.007161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.007161 (E_RNA)
where:
Base-Base interactions energy: -943.112
where: short stacking energy: -435.433
Base-Backbone interact. energy: -4.355
local terms energy: -495.539816
where:
bonds (distance) C4'-P energy: -95.639
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -119.918
flat angles P-C4'-P energy: -67.518
tors. eta vs tors. theta energy: -98.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1165.797065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.797065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.797065 (E_RNA)
where:
Base-Base interactions energy: -712.818
where: short stacking energy: -330.202
Base-Backbone interact. energy: 2.447
local terms energy: -455.426201
where:
bonds (distance) C4'-P energy: -105.809
bonds (distance) P-C4' energy: -99.247
flat angles C4'-P-C4' energy: -114.809
flat angles P-C4'-P energy: -62.169
tors. eta vs tors. theta energy: -73.391
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: 5
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -836.779775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.779775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.779775 (E_RNA)
where:
Base-Base interactions energy: -447.329
where: short stacking energy: -238.938
Base-Backbone interact. energy: -4.124
local terms energy: -385.327404
where:
bonds (distance) C4'-P energy: -92.198
bonds (distance) P-C4' energy: -108.245
flat angles C4'-P-C4' energy: -101.505
flat angles P-C4'-P energy: -75.531
tors. eta vs tors. theta energy: -7.848
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: 9, replica: 2
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -624.679767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.679767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.679767 (E_RNA)
where:
Base-Base interactions energy: -300.727
where: short stacking energy: -166.840
Base-Backbone interact. energy: -4.758
local terms energy: -319.194504
where:
bonds (distance) C4'-P energy: -107.623
bonds (distance) P-C4' energy: -93.484
flat angles C4'-P-C4' energy: -78.822
flat angles P-C4'-P energy: -43.476
tors. eta vs tors. theta energy: 4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -499.159769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.159769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.159769 (E_RNA)
where:
Base-Base interactions energy: -181.767
where: short stacking energy: -153.834
Base-Backbone interact. energy: -2.141
local terms energy: -315.251265
where:
bonds (distance) C4'-P energy: -79.593
bonds (distance) P-C4' energy: -106.924
flat angles C4'-P-C4' energy: -83.271
flat angles P-C4'-P energy: -59.113
tors. eta vs tors. theta energy: 13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1924.502864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.502864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.502864 (E_RNA)
where:
Base-Base interactions energy: -1263.887
where: short stacking energy: -564.617
Base-Backbone interact. energy: -3.422
local terms energy: -657.193470
where:
bonds (distance) C4'-P energy: -124.647
bonds (distance) P-C4' energy: -138.613
flat angles C4'-P-C4' energy: -142.595
flat angles P-C4'-P energy: -92.651
tors. eta vs tors. theta energy: -158.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1824.371382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.371382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.371382 (E_RNA)
where:
Base-Base interactions energy: -1236.415
where: short stacking energy: -532.331
Base-Backbone interact. energy: 1.325
local terms energy: -589.281317
where:
bonds (distance) C4'-P energy: -128.871
bonds (distance) P-C4' energy: -111.916
flat angles C4'-P-C4' energy: -131.053
flat angles P-C4'-P energy: -94.398
tors. eta vs tors. theta energy: -123.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1701.722203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.722203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.722203 (E_RNA)
where:
Base-Base interactions energy: -1147.577
where: short stacking energy: -478.465
Base-Backbone interact. energy: -0.847
local terms energy: -553.297761
where:
bonds (distance) C4'-P energy: -120.114
bonds (distance) P-C4' energy: -113.414
flat angles C4'-P-C4' energy: -131.948
flat angles P-C4'-P energy: -63.833
tors. eta vs tors. theta energy: -123.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1602.619982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.619982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.619982 (E_RNA)
where:
Base-Base interactions energy: -1086.298
where: short stacking energy: -457.996
Base-Backbone interact. energy: -2.102
local terms energy: -514.220707
where:
bonds (distance) C4'-P energy: -99.871
bonds (distance) P-C4' energy: -116.276
flat angles C4'-P-C4' energy: -118.564
flat angles P-C4'-P energy: -70.120
tors. eta vs tors. theta energy: -109.390
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: 5, replica: 1
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1510.546335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.546335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.546335 (E_RNA)
where:
Base-Base interactions energy: -995.516
where: short stacking energy: -465.212
Base-Backbone interact. energy: 7.327
local terms energy: -522.357466
where:
bonds (distance) C4'-P energy: -106.667
bonds (distance) P-C4' energy: -116.639
flat angles C4'-P-C4' energy: -114.275
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -110.998
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: 8
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1395.866723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.866723 (E_RNA)
where:
Base-Base interactions energy: -895.882
where: short stacking energy: -406.190
Base-Backbone interact. energy: -4.167
local terms energy: -495.817964
where:
bonds (distance) C4'-P energy: -101.501
bonds (distance) P-C4' energy: -114.114
flat angles C4'-P-C4' energy: -108.894
flat angles P-C4'-P energy: -78.818
tors. eta vs tors. theta energy: -92.491
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1165.665136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.665136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.665136 (E_RNA)
where:
Base-Base interactions energy: -720.331
where: short stacking energy: -327.826
Base-Backbone interact. energy: 1.582
local terms energy: -446.915925
where:
bonds (distance) C4'-P energy: -102.501
bonds (distance) P-C4' energy: -98.735
flat angles C4'-P-C4' energy: -99.003
flat angles P-C4'-P energy: -77.078
tors. eta vs tors. theta energy: -69.599
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: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -841.341877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.341877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.341877 (E_RNA)
where:
Base-Base interactions energy: -464.911
where: short stacking energy: -244.789
Base-Backbone interact. energy: -3.346
local terms energy: -373.084390
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -96.274
flat angles C4'-P-C4' energy: -93.899
flat angles P-C4'-P energy: -61.557
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -640.624444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.624444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.624444 (E_RNA)
where:
Base-Base interactions energy: -322.663
where: short stacking energy: -200.632
Base-Backbone interact. energy: 0.976
local terms energy: -318.937597
where:
bonds (distance) C4'-P energy: -89.314
bonds (distance) P-C4' energy: -105.607
flat angles C4'-P-C4' energy: -78.520
flat angles P-C4'-P energy: -54.625
tors. eta vs tors. theta energy: 9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -580.156561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.156561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.156561 (E_RNA)
where:
Base-Base interactions energy: -258.820
where: short stacking energy: -179.268
Base-Backbone interact. energy: -1.303
local terms energy: -320.032956
where:
bonds (distance) C4'-P energy: -93.813
bonds (distance) P-C4' energy: -100.089
flat angles C4'-P-C4' energy: -87.263
flat angles P-C4'-P energy: -46.189
tors. eta vs tors. theta energy: 7.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1954.334453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.334453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.334453 (E_RNA)
where:
Base-Base interactions energy: -1304.952
where: short stacking energy: -582.240
Base-Backbone interact. energy: -2.682
local terms energy: -646.700746
where:
bonds (distance) C4'-P energy: -118.441
bonds (distance) P-C4' energy: -130.850
flat angles C4'-P-C4' energy: -143.098
flat angles P-C4'-P energy: -88.780
tors. eta vs tors. theta energy: -165.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1829.322234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.322234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.322234 (E_RNA)
where:
Base-Base interactions energy: -1223.496
where: short stacking energy: -512.201
Base-Backbone interact. energy: 2.354
local terms energy: -608.180322
where:
bonds (distance) C4'-P energy: -123.914
bonds (distance) P-C4' energy: -121.740
flat angles C4'-P-C4' energy: -125.185
flat angles P-C4'-P energy: -102.037
tors. eta vs tors. theta energy: -135.304
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: 10
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1736.537378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.537378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.537378 (E_RNA)
where:
Base-Base interactions energy: -1149.082
where: short stacking energy: -501.303
Base-Backbone interact. energy: -4.965
local terms energy: -582.490213
where:
bonds (distance) C4'-P energy: -124.853
bonds (distance) P-C4' energy: -113.041
flat angles C4'-P-C4' energy: -131.367
flat angles P-C4'-P energy: -88.757
tors. eta vs tors. theta energy: -124.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1677.928869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.928869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.928869 (E_RNA)
where:
Base-Base interactions energy: -1132.826
where: short stacking energy: -492.850
Base-Backbone interact. energy: 0.584
local terms energy: -545.686413
where:
bonds (distance) C4'-P energy: -111.850
bonds (distance) P-C4' energy: -105.763
flat angles C4'-P-C4' energy: -123.097
flat angles P-C4'-P energy: -94.085
tors. eta vs tors. theta energy: -110.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1482.221242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.221242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.221242 (E_RNA)
where:
Base-Base interactions energy: -970.026
where: short stacking energy: -460.073
Base-Backbone interact. energy: -2.938
local terms energy: -509.257135
where:
bonds (distance) C4'-P energy: -104.463
bonds (distance) P-C4' energy: -93.679
flat angles C4'-P-C4' energy: -123.148
flat angles P-C4'-P energy: -77.319
tors. eta vs tors. theta energy: -110.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1307.088009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.088009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.088009 (E_RNA)
where:
Base-Base interactions energy: -829.983
where: short stacking energy: -370.583
Base-Backbone interact. energy: -1.742
local terms energy: -475.363318
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -116.636
flat angles C4'-P-C4' energy: -115.200
flat angles P-C4'-P energy: -59.854
tors. eta vs tors. theta energy: -70.705
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1204.962438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.962438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.962438 (E_RNA)
where:
Base-Base interactions energy: -736.323
where: short stacking energy: -387.840
Base-Backbone interact. energy: -1.742
local terms energy: -466.897568
where:
bonds (distance) C4'-P energy: -113.223
bonds (distance) P-C4' energy: -102.719
flat angles C4'-P-C4' energy: -112.622
flat angles P-C4'-P energy: -56.641
tors. eta vs tors. theta energy: -81.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -837.702371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.702371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.702371 (E_RNA)
where:
Base-Base interactions energy: -442.252
where: short stacking energy: -242.334
Base-Backbone interact. energy: -0.034
local terms energy: -395.416307
where:
bonds (distance) C4'-P energy: -107.100
bonds (distance) P-C4' energy: -114.161
flat angles C4'-P-C4' energy: -92.831
flat angles P-C4'-P energy: -58.678
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -660.964771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.964771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.964771 (E_RNA)
where:
Base-Base interactions energy: -336.204
where: short stacking energy: -182.706
Base-Backbone interact. energy: -2.454
local terms energy: -322.306433
where:
bonds (distance) C4'-P energy: -101.934
bonds (distance) P-C4' energy: -87.079
flat angles C4'-P-C4' energy: -89.369
flat angles P-C4'-P energy: -52.898
tors. eta vs tors. theta energy: 8.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -494.818386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.818386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.818386 (E_RNA)
where:
Base-Base interactions energy: -176.238
where: short stacking energy: -146.388
Base-Backbone interact. energy: 3.181
local terms energy: -321.761083
where:
bonds (distance) C4'-P energy: -91.775
bonds (distance) P-C4' energy: -119.960
flat angles C4'-P-C4' energy: -85.649
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: 27.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1909.744924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.744924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.744924 (E_RNA)
where:
Base-Base interactions energy: -1262.335
where: short stacking energy: -535.647
Base-Backbone interact. energy: -6.121
local terms energy: -641.288858
where:
bonds (distance) C4'-P energy: -126.542
bonds (distance) P-C4' energy: -133.279
flat angles C4'-P-C4' energy: -141.828
flat angles P-C4'-P energy: -97.789
tors. eta vs tors. theta energy: -141.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1892.752565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.752565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.752565 (E_RNA)
where:
Base-Base interactions energy: -1269.285
where: short stacking energy: -575.958
Base-Backbone interact. energy: -2.457
local terms energy: -621.010278
where:
bonds (distance) C4'-P energy: -122.128
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -127.755
flat angles P-C4'-P energy: -98.972
tors. eta vs tors. theta energy: -157.124
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: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1724.955928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.955928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.955928 (E_RNA)
where:
Base-Base interactions energy: -1145.994
where: short stacking energy: -516.771
Base-Backbone interact. energy: -4.251
local terms energy: -574.710868
where:
bonds (distance) C4'-P energy: -110.194
bonds (distance) P-C4' energy: -131.808
flat angles C4'-P-C4' energy: -120.869
flat angles P-C4'-P energy: -78.798
tors. eta vs tors. theta energy: -133.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1678.529956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.529956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.529956 (E_RNA)
where:
Base-Base interactions energy: -1092.917
where: short stacking energy: -478.408
Base-Backbone interact. energy: -2.171
local terms energy: -583.442324
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -121.913
flat angles C4'-P-C4' energy: -131.222
flat angles P-C4'-P energy: -85.042
tors. eta vs tors. theta energy: -146.048
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: 1
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1536.149582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.149582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.149582 (E_RNA)
where:
Base-Base interactions energy: -982.154
where: short stacking energy: -458.933
Base-Backbone interact. energy: -1.908
local terms energy: -552.087514
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -122.802
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -84.960
tors. eta vs tors. theta energy: -117.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1394.034458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.034458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.034458 (E_RNA)
where:
Base-Base interactions energy: -880.971
where: short stacking energy: -405.541
Base-Backbone interact. energy: -3.488
local terms energy: -509.575505
where:
bonds (distance) C4'-P energy: -103.744
bonds (distance) P-C4' energy: -108.919
flat angles C4'-P-C4' energy: -115.973
flat angles P-C4'-P energy: -82.764
tors. eta vs tors. theta energy: -98.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1259.184269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.184269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.184269 (E_RNA)
where:
Base-Base interactions energy: -756.929
where: short stacking energy: -385.110
Base-Backbone interact. energy: -3.447
local terms energy: -498.807834
where:
bonds (distance) C4'-P energy: -90.343
bonds (distance) P-C4' energy: -121.503
flat angles C4'-P-C4' energy: -110.527
flat angles P-C4'-P energy: -83.543
tors. eta vs tors. theta energy: -92.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -856.671569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.671569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.671569 (E_RNA)
where:
Base-Base interactions energy: -431.219
where: short stacking energy: -242.240
Base-Backbone interact. energy: -1.447
local terms energy: -424.006300
where:
bonds (distance) C4'-P energy: -93.604
bonds (distance) P-C4' energy: -114.570
flat angles C4'-P-C4' energy: -111.274
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -687.045168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.045168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.045168 (E_RNA)
where:
Base-Base interactions energy: -340.997
where: short stacking energy: -183.959
Base-Backbone interact. energy: -0.116
local terms energy: -345.932770
where:
bonds (distance) C4'-P energy: -109.154
bonds (distance) P-C4' energy: -105.779
flat angles C4'-P-C4' energy: -104.447
flat angles P-C4'-P energy: -34.484
tors. eta vs tors. theta energy: 7.932
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: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -476.434982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.434982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.434982 (E_RNA)
where:
Base-Base interactions energy: -147.821
where: short stacking energy: -122.157
Base-Backbone interact. energy: -1.113
local terms energy: -327.500994
where:
bonds (distance) C4'-P energy: -92.887
bonds (distance) P-C4' energy: -112.185
flat angles C4'-P-C4' energy: -80.781
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: 13.424
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: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1926.143712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.143712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.143712 (E_RNA)
where:
Base-Base interactions energy: -1313.506
where: short stacking energy: -576.218
Base-Backbone interact. energy: 0.000
local terms energy: -612.637825
where:
bonds (distance) C4'-P energy: -113.373
bonds (distance) P-C4' energy: -130.303
flat angles C4'-P-C4' energy: -138.073
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -143.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1879.631491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.631491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.631491 (E_RNA)
where:
Base-Base interactions energy: -1249.875
where: short stacking energy: -556.555
Base-Backbone interact. energy: -2.772
local terms energy: -626.984157
where:
bonds (distance) C4'-P energy: -135.324
bonds (distance) P-C4' energy: -121.242
flat angles C4'-P-C4' energy: -128.621
flat angles P-C4'-P energy: -85.725
tors. eta vs tors. theta energy: -156.072
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: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1711.875296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.875296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.875296 (E_RNA)
where:
Base-Base interactions energy: -1144.235
where: short stacking energy: -493.133
Base-Backbone interact. energy: -2.452
local terms energy: -565.188381
where:
bonds (distance) C4'-P energy: -86.586
bonds (distance) P-C4' energy: -124.997
flat angles C4'-P-C4' energy: -142.913
flat angles P-C4'-P energy: -81.804
tors. eta vs tors. theta energy: -128.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1687.633792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.633792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.633792 (E_RNA)
where:
Base-Base interactions energy: -1127.722
where: short stacking energy: -476.125
Base-Backbone interact. energy: 0.987
local terms energy: -560.898531
where:
bonds (distance) C4'-P energy: -114.095
bonds (distance) P-C4' energy: -112.797
flat angles C4'-P-C4' energy: -129.432
flat angles P-C4'-P energy: -81.774
tors. eta vs tors. theta energy: -122.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1511.324324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.324324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.324324 (E_RNA)
where:
Base-Base interactions energy: -985.741
where: short stacking energy: -445.705
Base-Backbone interact. energy: 0.518
local terms energy: -526.100375
where:
bonds (distance) C4'-P energy: -113.450
bonds (distance) P-C4' energy: -119.707
flat angles C4'-P-C4' energy: -101.678
flat angles P-C4'-P energy: -80.814
tors. eta vs tors. theta energy: -110.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1441.901608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.901608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.901608 (E_RNA)
where:
Base-Base interactions energy: -942.203
where: short stacking energy: -418.451
Base-Backbone interact. energy: -0.746
local terms energy: -498.952210
where:
bonds (distance) C4'-P energy: -97.654
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -110.894
flat angles P-C4'-P energy: -80.919
tors. eta vs tors. theta energy: -98.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1264.101639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.101639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.101639 (E_RNA)
where:
Base-Base interactions energy: -769.134
where: short stacking energy: -358.895
Base-Backbone interact. energy: 1.649
local terms energy: -496.616528
where:
bonds (distance) C4'-P energy: -113.872
bonds (distance) P-C4' energy: -105.849
flat angles C4'-P-C4' energy: -128.178
flat angles P-C4'-P energy: -71.703
tors. eta vs tors. theta energy: -77.015
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: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -772.782807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.782807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.782807 (E_RNA)
where:
Base-Base interactions energy: -395.377
where: short stacking energy: -219.395
Base-Backbone interact. energy: 2.148
local terms energy: -379.553796
where:
bonds (distance) C4'-P energy: -110.118
bonds (distance) P-C4' energy: -104.896
flat angles C4'-P-C4' energy: -85.181
flat angles P-C4'-P energy: -60.871
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -653.804721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.804721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.804721 (E_RNA)
where:
Base-Base interactions energy: -279.814
where: short stacking energy: -193.544
Base-Backbone interact. energy: 0.565
local terms energy: -374.556590
where:
bonds (distance) C4'-P energy: -94.026
bonds (distance) P-C4' energy: -112.674
flat angles C4'-P-C4' energy: -93.927
flat angles P-C4'-P energy: -68.338
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: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -489.398803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.398803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.398803 (E_RNA)
where:
Base-Base interactions energy: -148.590
where: short stacking energy: -116.626
Base-Backbone interact. energy: -1.768
local terms energy: -339.041084
where:
bonds (distance) C4'-P energy: -117.419
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -80.172
flat angles P-C4'-P energy: -60.508
tors. eta vs tors. theta energy: 26.524
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: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1942.783949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.783949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.783949 (E_RNA)
where:
Base-Base interactions energy: -1323.657
where: short stacking energy: -550.748
Base-Backbone interact. energy: -1.764
local terms energy: -617.363013
where:
bonds (distance) C4'-P energy: -115.528
bonds (distance) P-C4' energy: -122.852
flat angles C4'-P-C4' energy: -143.354
flat angles P-C4'-P energy: -97.718
tors. eta vs tors. theta energy: -137.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1913.281362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.281362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.281362 (E_RNA)
where:
Base-Base interactions energy: -1274.183
where: short stacking energy: -546.622
Base-Backbone interact. energy: -4.266
local terms energy: -634.832154
where:
bonds (distance) C4'-P energy: -127.930
bonds (distance) P-C4' energy: -127.139
flat angles C4'-P-C4' energy: -146.384
flat angles P-C4'-P energy: -79.225
tors. eta vs tors. theta energy: -154.155
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: 10
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1790.646867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.646867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.646867 (E_RNA)
where:
Base-Base interactions energy: -1240.254
where: short stacking energy: -527.711
Base-Backbone interact. energy: -1.946
local terms energy: -548.446908
where:
bonds (distance) C4'-P energy: -101.127
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -114.481
flat angles P-C4'-P energy: -89.853
tors. eta vs tors. theta energy: -134.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1611.138186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.138186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.138186 (E_RNA)
where:
Base-Base interactions energy: -1044.487
where: short stacking energy: -478.234
Base-Backbone interact. energy: -1.629
local terms energy: -565.021746
where:
bonds (distance) C4'-P energy: -118.164
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -122.184
flat angles P-C4'-P energy: -79.708
tors. eta vs tors. theta energy: -132.043
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: 1
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1498.882417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.882417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.882417 (E_RNA)
where:
Base-Base interactions energy: -968.509
where: short stacking energy: -428.342
Base-Backbone interact. energy: -1.119
local terms energy: -529.254662
where:
bonds (distance) C4'-P energy: -116.870
bonds (distance) P-C4' energy: -106.359
flat angles C4'-P-C4' energy: -107.642
flat angles P-C4'-P energy: -93.014
tors. eta vs tors. theta energy: -105.370
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: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1374.042231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.042231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.042231 (E_RNA)
where:
Base-Base interactions energy: -898.114
where: short stacking energy: -392.003
Base-Backbone interact. energy: -0.792
local terms energy: -475.135594
where:
bonds (distance) C4'-P energy: -102.005
bonds (distance) P-C4' energy: -114.669
flat angles C4'-P-C4' energy: -127.272
flat angles P-C4'-P energy: -57.729
tors. eta vs tors. theta energy: -73.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1259.876859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.876859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.876859 (E_RNA)
where:
Base-Base interactions energy: -817.435
where: short stacking energy: -367.059
Base-Backbone interact. energy: -2.322
local terms energy: -440.119308
where:
bonds (distance) C4'-P energy: -81.673
bonds (distance) P-C4' energy: -112.373
flat angles C4'-P-C4' energy: -108.568
flat angles P-C4'-P energy: -54.716
tors. eta vs tors. theta energy: -82.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -771.773640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.773640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.773640 (E_RNA)
where:
Base-Base interactions energy: -395.249
where: short stacking energy: -212.266
Base-Backbone interact. energy: 3.678
local terms energy: -380.203137
where:
bonds (distance) C4'-P energy: -106.964
bonds (distance) P-C4' energy: -109.216
flat angles C4'-P-C4' energy: -86.921
flat angles P-C4'-P energy: -67.407
tors. eta vs tors. theta energy: -9.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -644.969041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.969041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.969041 (E_RNA)
where:
Base-Base interactions energy: -291.651
where: short stacking energy: -187.998
Base-Backbone interact. energy: -0.855
local terms energy: -352.462701
where:
bonds (distance) C4'-P energy: -98.882
bonds (distance) P-C4' energy: -89.560
flat angles C4'-P-C4' energy: -93.888
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: 1.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -473.024843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.024843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.024843 (E_RNA)
where:
Base-Base interactions energy: -196.060
where: short stacking energy: -147.219
Base-Backbone interact. energy: 0.171
local terms energy: -277.136144
where:
bonds (distance) C4'-P energy: -85.846
bonds (distance) P-C4' energy: -102.465
flat angles C4'-P-C4' energy: -80.584
flat angles P-C4'-P energy: -31.397
tors. eta vs tors. theta energy: 23.154
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: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1913.809226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.809226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.809226 (E_RNA)
where:
Base-Base interactions energy: -1285.116
where: short stacking energy: -531.147
Base-Backbone interact. energy: -4.200
local terms energy: -624.493295
where:
bonds (distance) C4'-P energy: -118.784
bonds (distance) P-C4' energy: -133.543
flat angles C4'-P-C4' energy: -131.518
flat angles P-C4'-P energy: -96.466
tors. eta vs tors. theta energy: -144.182
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: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1881.611381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.611381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.611381 (E_RNA)
where:
Base-Base interactions energy: -1257.500
where: short stacking energy: -555.015
Base-Backbone interact. energy: -4.261
local terms energy: -619.850203
where:
bonds (distance) C4'-P energy: -122.098
bonds (distance) P-C4' energy: -125.723
flat angles C4'-P-C4' energy: -140.338
flat angles P-C4'-P energy: -76.253
tors. eta vs tors. theta energy: -155.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1767.653124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.653124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.653124 (E_RNA)
where:
Base-Base interactions energy: -1166.433
where: short stacking energy: -533.153
Base-Backbone interact. energy: -3.876
local terms energy: -597.343736
where:
bonds (distance) C4'-P energy: -115.771
bonds (distance) P-C4' energy: -122.498
flat angles C4'-P-C4' energy: -128.047
flat angles P-C4'-P energy: -80.171
tors. eta vs tors. theta energy: -150.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1629.484691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.484691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.484691 (E_RNA)
where:
Base-Base interactions energy: -1056.768
where: short stacking energy: -499.481
Base-Backbone interact. energy: -3.355
local terms energy: -569.361597
where:
bonds (distance) C4'-P energy: -114.086
bonds (distance) P-C4' energy: -123.556
flat angles C4'-P-C4' energy: -122.559
flat angles P-C4'-P energy: -61.019
tors. eta vs tors. theta energy: -148.141
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: 1
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1565.446097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.446097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.446097 (E_RNA)
where:
Base-Base interactions energy: -1036.088
where: short stacking energy: -472.189
Base-Backbone interact. energy: -3.001
local terms energy: -526.357095
where:
bonds (distance) C4'-P energy: -115.253
bonds (distance) P-C4' energy: -108.388
flat angles C4'-P-C4' energy: -115.693
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: -124.848
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: 8
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1375.132597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.132597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.132597 (E_RNA)
where:
Base-Base interactions energy: -904.725
where: short stacking energy: -375.256
Base-Backbone interact. energy: -1.327
local terms energy: -469.080214
where:
bonds (distance) C4'-P energy: -118.530
bonds (distance) P-C4' energy: -104.701
flat angles C4'-P-C4' energy: -107.025
flat angles P-C4'-P energy: -71.783
tors. eta vs tors. theta energy: -67.041
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: 7
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1245.402200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.402200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.402200 (E_RNA)
where:
Base-Base interactions energy: -777.747
where: short stacking energy: -368.000
Base-Backbone interact. energy: -0.214
local terms energy: -467.441607
where:
bonds (distance) C4'-P energy: -109.298
bonds (distance) P-C4' energy: -107.060
flat angles C4'-P-C4' energy: -114.171
flat angles P-C4'-P energy: -65.831
tors. eta vs tors. theta energy: -71.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -835.453529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.453529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.453529 (E_RNA)
where:
Base-Base interactions energy: -444.230
where: short stacking energy: -242.043
Base-Backbone interact. energy: -1.322
local terms energy: -389.901698
where:
bonds (distance) C4'-P energy: -107.801
bonds (distance) P-C4' energy: -109.259
flat angles C4'-P-C4' energy: -107.150
flat angles P-C4'-P energy: -45.086
tors. eta vs tors. theta energy: -20.606
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: 2
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -658.283051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.283051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.283051 (E_RNA)
where:
Base-Base interactions energy: -303.922
where: short stacking energy: -161.686
Base-Backbone interact. energy: -2.401
local terms energy: -351.959834
where:
bonds (distance) C4'-P energy: -113.659
bonds (distance) P-C4' energy: -111.613
flat angles C4'-P-C4' energy: -86.530
flat angles P-C4'-P energy: -41.419
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -507.181427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.181427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.181427 (E_RNA)
where:
Base-Base interactions energy: -181.587
where: short stacking energy: -124.616
Base-Backbone interact. energy: 4.542
local terms energy: -330.136246
where:
bonds (distance) C4'-P energy: -110.100
bonds (distance) P-C4' energy: -114.969
flat angles C4'-P-C4' energy: -73.409
flat angles P-C4'-P energy: -51.017
tors. eta vs tors. theta energy: 19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1921.549205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.549205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.549205 (E_RNA)
where:
Base-Base interactions energy: -1295.520
where: short stacking energy: -567.485
Base-Backbone interact. energy: 2.154
local terms energy: -628.183398
where:
bonds (distance) C4'-P energy: -117.448
bonds (distance) P-C4' energy: -133.380
flat angles C4'-P-C4' energy: -142.537
flat angles P-C4'-P energy: -92.904
tors. eta vs tors. theta energy: -141.915
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: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1913.703391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.703391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.703391 (E_RNA)
where:
Base-Base interactions energy: -1258.868
where: short stacking energy: -545.525
Base-Backbone interact. energy: -1.724
local terms energy: -653.111381
where:
bonds (distance) C4'-P energy: -143.324
bonds (distance) P-C4' energy: -127.748
flat angles C4'-P-C4' energy: -144.522
flat angles P-C4'-P energy: -82.852
tors. eta vs tors. theta energy: -154.665
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: 58
Temperature: 1.000000
Total energy: -1805.785252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.785252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.785252 (E_RNA)
where:
Base-Base interactions energy: -1210.178
where: short stacking energy: -548.432
Base-Backbone interact. energy: -3.178
local terms energy: -592.429243
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -94.094
flat angles C4'-P-C4' energy: -135.605
flat angles P-C4'-P energy: -98.967
tors. eta vs tors. theta energy: -148.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1603.339745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.339745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.339745 (E_RNA)
where:
Base-Base interactions energy: -1040.912
where: short stacking energy: -433.739
Base-Backbone interact. energy: -2.853
local terms energy: -559.574620
where:
bonds (distance) C4'-P energy: -113.074
bonds (distance) P-C4' energy: -130.464
flat angles C4'-P-C4' energy: -124.233
flat angles P-C4'-P energy: -87.963
tors. eta vs tors. theta energy: -103.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1568.183313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.183313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.183313 (E_RNA)
where:
Base-Base interactions energy: -1021.952
where: short stacking energy: -460.171
Base-Backbone interact. energy: -3.621
local terms energy: -542.610179
where:
bonds (distance) C4'-P energy: -115.069
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -130.657
flat angles P-C4'-P energy: -60.719
tors. eta vs tors. theta energy: -125.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1392.954422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.954422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.954422 (E_RNA)
where:
Base-Base interactions energy: -911.832
where: short stacking energy: -391.187
Base-Backbone interact. energy: -1.181
local terms energy: -479.941508
where:
bonds (distance) C4'-P energy: -102.650
bonds (distance) P-C4' energy: -105.757
flat angles C4'-P-C4' energy: -118.670
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -78.166
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: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1238.586424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.586424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.586424 (E_RNA)
where:
Base-Base interactions energy: -760.172
where: short stacking energy: -377.212
Base-Backbone interact. energy: 10.622
local terms energy: -489.036997
where:
bonds (distance) C4'-P energy: -104.318
bonds (distance) P-C4' energy: -100.155
flat angles C4'-P-C4' energy: -118.583
flat angles P-C4'-P energy: -64.246
tors. eta vs tors. theta energy: -101.734
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: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -806.025047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.025047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.025047 (E_RNA)
where:
Base-Base interactions energy: -426.115
where: short stacking energy: -228.821
Base-Backbone interact. energy: 1.128
local terms energy: -381.037909
where:
bonds (distance) C4'-P energy: -109.171
bonds (distance) P-C4' energy: -101.007
flat angles C4'-P-C4' energy: -97.440
flat angles P-C4'-P energy: -57.011
tors. eta vs tors. theta energy: -16.410
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: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -577.052540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.052540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.052540 (E_RNA)
where:
Base-Base interactions energy: -241.786
where: short stacking energy: -155.766
Base-Backbone interact. energy: -2.349
local terms energy: -332.917742
where:
bonds (distance) C4'-P energy: -109.649
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -96.505
flat angles P-C4'-P energy: -61.074
tors. eta vs tors. theta energy: 33.455
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: 3
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -505.886918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.886918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.886918 (E_RNA)
where:
Base-Base interactions energy: -174.723
where: short stacking energy: -130.500
Base-Backbone interact. energy: 4.677
local terms energy: -335.839976
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -105.479
flat angles C4'-P-C4' energy: -90.123
flat angles P-C4'-P energy: -51.116
tors. eta vs tors. theta energy: 13.870
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: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1957.152468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.152468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.152468 (E_RNA)
where:
Base-Base interactions energy: -1330.457
where: short stacking energy: -575.710
Base-Backbone interact. energy: -3.961
local terms energy: -622.734262
where:
bonds (distance) C4'-P energy: -123.078
bonds (distance) P-C4' energy: -133.662
flat angles C4'-P-C4' energy: -132.435
flat angles P-C4'-P energy: -83.130
tors. eta vs tors. theta energy: -150.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1869.733013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.733013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.733013 (E_RNA)
where:
Base-Base interactions energy: -1232.728
where: short stacking energy: -549.181
Base-Backbone interact. energy: -0.317
local terms energy: -636.687600
where:
bonds (distance) C4'-P energy: -122.938
bonds (distance) P-C4' energy: -136.368
flat angles C4'-P-C4' energy: -133.381
flat angles P-C4'-P energy: -84.081
tors. eta vs tors. theta energy: -159.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1795.633342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.633342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.633342 (E_RNA)
where:
Base-Base interactions energy: -1202.547
where: short stacking energy: -522.540
Base-Backbone interact. energy: -3.174
local terms energy: -589.911937
where:
bonds (distance) C4'-P energy: -118.394
bonds (distance) P-C4' energy: -120.210
flat angles C4'-P-C4' energy: -136.136
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -142.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1599.163098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.163098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.163098 (E_RNA)
where:
Base-Base interactions energy: -1039.882
where: short stacking energy: -458.457
Base-Backbone interact. energy: 1.382
local terms energy: -560.663874
where:
bonds (distance) C4'-P energy: -116.572
bonds (distance) P-C4' energy: -116.292
flat angles C4'-P-C4' energy: -130.916
flat angles P-C4'-P energy: -76.864
tors. eta vs tors. theta energy: -120.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1628.064119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.064119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.064119 (E_RNA)
where:
Base-Base interactions energy: -1071.660
where: short stacking energy: -464.442
Base-Backbone interact. energy: -1.682
local terms energy: -554.722335
where:
bonds (distance) C4'-P energy: -111.539
bonds (distance) P-C4' energy: -122.313
flat angles C4'-P-C4' energy: -125.825
flat angles P-C4'-P energy: -81.442
tors. eta vs tors. theta energy: -113.603
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: 6, replica: 8
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1442.246440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.246440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.246440 (E_RNA)
where:
Base-Base interactions energy: -949.881
where: short stacking energy: -423.042
Base-Backbone interact. energy: -0.404
local terms energy: -491.961451
where:
bonds (distance) C4'-P energy: -107.776
bonds (distance) P-C4' energy: -112.971
flat angles C4'-P-C4' energy: -107.535
flat angles P-C4'-P energy: -60.070
tors. eta vs tors. theta energy: -103.610
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: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1196.092509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.092509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.092509 (E_RNA)
where:
Base-Base interactions energy: -734.958
where: short stacking energy: -351.321
Base-Backbone interact. energy: 1.614
local terms energy: -462.748911
where:
bonds (distance) C4'-P energy: -114.912
bonds (distance) P-C4' energy: -94.275
flat angles C4'-P-C4' energy: -114.244
flat angles P-C4'-P energy: -75.252
tors. eta vs tors. theta energy: -64.067
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: 5
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -798.260340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.260340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.260340 (E_RNA)
where:
Base-Base interactions energy: -420.626
where: short stacking energy: -235.593
Base-Backbone interact. energy: -3.154
local terms energy: -374.480840
where:
bonds (distance) C4'-P energy: -101.381
bonds (distance) P-C4' energy: -91.544
flat angles C4'-P-C4' energy: -115.426
flat angles P-C4'-P energy: -52.081
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -642.422934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.422934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.422934 (E_RNA)
where:
Base-Base interactions energy: -289.807
where: short stacking energy: -177.204
Base-Backbone interact. energy: -1.575
local terms energy: -351.040828
where:
bonds (distance) C4'-P energy: -99.466
bonds (distance) P-C4' energy: -125.987
flat angles C4'-P-C4' energy: -83.248
flat angles P-C4'-P energy: -47.646
tors. eta vs tors. theta energy: 5.306
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: 10, replica: 3
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -498.447429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.447429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.447429 (E_RNA)
where:
Base-Base interactions energy: -186.476
where: short stacking energy: -136.122
Base-Backbone interact. energy: 2.899
local terms energy: -314.870569
where:
bonds (distance) C4'-P energy: -96.556
bonds (distance) P-C4' energy: -111.713
flat angles C4'-P-C4' energy: -74.191
flat angles P-C4'-P energy: -59.417
tors. eta vs tors. theta energy: 27.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1972.982343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.982343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.982343 (E_RNA)
where:
Base-Base interactions energy: -1322.130
where: short stacking energy: -568.062
Base-Backbone interact. energy: -4.039
local terms energy: -646.813138
where:
bonds (distance) C4'-P energy: -127.136
bonds (distance) P-C4' energy: -143.781
flat angles C4'-P-C4' energy: -131.963
flat angles P-C4'-P energy: -88.765
tors. eta vs tors. theta energy: -155.168
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1886.726020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.726020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.726020 (E_RNA)
where:
Base-Base interactions energy: -1259.479
where: short stacking energy: -569.558
Base-Backbone interact. energy: -3.893
local terms energy: -623.354625
where:
bonds (distance) C4'-P energy: -107.414
bonds (distance) P-C4' energy: -129.558
flat angles C4'-P-C4' energy: -135.127
flat angles P-C4'-P energy: -91.545
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: 3, replica: 10
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1747.039437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.039437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.039437 (E_RNA)
where:
Base-Base interactions energy: -1141.713
where: short stacking energy: -512.730
Base-Backbone interact. energy: -5.348
local terms energy: -599.979199
where:
bonds (distance) C4'-P energy: -128.157
bonds (distance) P-C4' energy: -118.530
flat angles C4'-P-C4' energy: -142.854
flat angles P-C4'-P energy: -73.382
tors. eta vs tors. theta energy: -137.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1617.474140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.474140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.474140 (E_RNA)
where:
Base-Base interactions energy: -1076.776
where: short stacking energy: -475.736
Base-Backbone interact. energy: -4.595
local terms energy: -536.103429
where:
bonds (distance) C4'-P energy: -106.860
bonds (distance) P-C4' energy: -105.374
flat angles C4'-P-C4' energy: -127.672
flat angles P-C4'-P energy: -81.332
tors. eta vs tors. theta energy: -114.865
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: 1
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1609.765802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.765802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.765802 (E_RNA)
where:
Base-Base interactions energy: -1080.669
where: short stacking energy: -472.967
Base-Backbone interact. energy: -3.008
local terms energy: -526.088768
where:
bonds (distance) C4'-P energy: -102.541
bonds (distance) P-C4' energy: -103.379
flat angles C4'-P-C4' energy: -132.660
flat angles P-C4'-P energy: -70.217
tors. eta vs tors. theta energy: -117.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1383.693746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.693746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.693746 (E_RNA)
where:
Base-Base interactions energy: -901.535
where: short stacking energy: -428.401
Base-Backbone interact. energy: -0.293
local terms energy: -481.865503
where:
bonds (distance) C4'-P energy: -109.891
bonds (distance) P-C4' energy: -104.942
flat angles C4'-P-C4' energy: -109.655
flat angles P-C4'-P energy: -60.054
tors. eta vs tors. theta energy: -97.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1238.013665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.013665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.013665 (E_RNA)
where:
Base-Base interactions energy: -765.752
where: short stacking energy: -372.000
Base-Backbone interact. energy: 2.168
local terms energy: -474.429330
where:
bonds (distance) C4'-P energy: -114.391
bonds (distance) P-C4' energy: -116.734
flat angles C4'-P-C4' energy: -96.845
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -79.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -809.559741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.559741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.559741 (E_RNA)
where:
Base-Base interactions energy: -424.216
where: short stacking energy: -242.510
Base-Backbone interact. energy: 3.657
local terms energy: -389.000305
where:
bonds (distance) C4'-P energy: -87.329
bonds (distance) P-C4' energy: -114.384
flat angles C4'-P-C4' energy: -90.793
flat angles P-C4'-P energy: -74.959
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -565.558356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.558356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.558356 (E_RNA)
where:
Base-Base interactions energy: -271.910
where: short stacking energy: -171.219
Base-Backbone interact. energy: 5.962
local terms energy: -299.610335
where:
bonds (distance) C4'-P energy: -91.870
bonds (distance) P-C4' energy: -102.269
flat angles C4'-P-C4' energy: -65.797
flat angles P-C4'-P energy: -34.191
tors. eta vs tors. theta energy: -5.485
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: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -585.650788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.650788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.650788 (E_RNA)
where:
Base-Base interactions energy: -244.560
where: short stacking energy: -147.333
Base-Backbone interact. energy: 2.065
local terms energy: -343.155252
where:
bonds (distance) C4'-P energy: -106.984
bonds (distance) P-C4' energy: -105.100
flat angles C4'-P-C4' energy: -78.608
flat angles P-C4'-P energy: -61.154
tors. eta vs tors. theta energy: 8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1932.875677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.875677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.875677 (E_RNA)
where:
Base-Base interactions energy: -1325.393
where: short stacking energy: -559.309
Base-Backbone interact. energy: -0.112
local terms energy: -607.370505
where:
bonds (distance) C4'-P energy: -109.505
bonds (distance) P-C4' energy: -122.832
flat angles C4'-P-C4' energy: -124.599
flat angles P-C4'-P energy: -101.151
tors. eta vs tors. theta energy: -149.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1887.680792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.680792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.680792 (E_RNA)
where:
Base-Base interactions energy: -1282.135
where: short stacking energy: -542.212
Base-Backbone interact. energy: -1.225
local terms energy: -604.320650
where:
bonds (distance) C4'-P energy: -125.532
bonds (distance) P-C4' energy: -110.783
flat angles C4'-P-C4' energy: -130.799
flat angles P-C4'-P energy: -89.864
tors. eta vs tors. theta energy: -147.343
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: 10
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1773.381253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.381253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.381253 (E_RNA)
where:
Base-Base interactions energy: -1123.434
where: short stacking energy: -512.442
Base-Backbone interact. energy: -3.988
local terms energy: -645.958945
where:
bonds (distance) C4'-P energy: -128.309
bonds (distance) P-C4' energy: -127.618
flat angles C4'-P-C4' energy: -147.863
flat angles P-C4'-P energy: -103.727
tors. eta vs tors. theta energy: -138.444
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: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1654.294637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.294637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.294637 (E_RNA)
where:
Base-Base interactions energy: -1110.953
where: short stacking energy: -479.801
Base-Backbone interact. energy: -0.617
local terms energy: -542.723854
where:
bonds (distance) C4'-P energy: -109.433
bonds (distance) P-C4' energy: -109.988
flat angles C4'-P-C4' energy: -125.073
flat angles P-C4'-P energy: -79.600
tors. eta vs tors. theta energy: -118.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1721.581538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.581538 (E_RNA)
where:
Base-Base interactions energy: -1146.795
where: short stacking energy: -492.452
Base-Backbone interact. energy: -1.355
local terms energy: -573.432230
where:
bonds (distance) C4'-P energy: -123.107
bonds (distance) P-C4' energy: -114.151
flat angles C4'-P-C4' energy: -124.540
flat angles P-C4'-P energy: -74.578
tors. eta vs tors. theta energy: -137.056
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: 8
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1407.228477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.228477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.228477 (E_RNA)
where:
Base-Base interactions energy: -910.702
where: short stacking energy: -410.491
Base-Backbone interact. energy: 0.945
local terms energy: -497.471389
where:
bonds (distance) C4'-P energy: -113.355
bonds (distance) P-C4' energy: -104.729
flat angles C4'-P-C4' energy: -121.819
flat angles P-C4'-P energy: -71.532
tors. eta vs tors. theta energy: -86.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1167.138987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.138987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.138987 (E_RNA)
where:
Base-Base interactions energy: -716.688
where: short stacking energy: -362.799
Base-Backbone interact. energy: -1.604
local terms energy: -448.847125
where:
bonds (distance) C4'-P energy: -108.495
bonds (distance) P-C4' energy: -111.094
flat angles C4'-P-C4' energy: -117.041
flat angles P-C4'-P energy: -42.945
tors. eta vs tors. theta energy: -69.272
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: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -800.145306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.145306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.145306 (E_RNA)
where:
Base-Base interactions energy: -425.410
where: short stacking energy: -253.646
Base-Backbone interact. energy: -1.597
local terms energy: -373.138957
where:
bonds (distance) C4'-P energy: -91.955
bonds (distance) P-C4' energy: -109.005
flat angles C4'-P-C4' energy: -102.571
flat angles P-C4'-P energy: -54.635
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -540.570296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.570296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.570296 (E_RNA)
where:
Base-Base interactions energy: -238.696
where: short stacking energy: -151.953
Base-Backbone interact. energy: 4.497
local terms energy: -306.372042
where:
bonds (distance) C4'-P energy: -105.940
bonds (distance) P-C4' energy: -111.018
flat angles C4'-P-C4' energy: -75.305
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: 24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -591.545920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.545920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.545920 (E_RNA)
where:
Base-Base interactions energy: -237.973
where: short stacking energy: -147.116
Base-Backbone interact. energy: -1.301
local terms energy: -352.271109
where:
bonds (distance) C4'-P energy: -109.392
bonds (distance) P-C4' energy: -95.645
flat angles C4'-P-C4' energy: -95.588
flat angles P-C4'-P energy: -60.732
tors. eta vs tors. theta energy: 9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1960.332590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.332590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.332590 (E_RNA)
where:
Base-Base interactions energy: -1328.611
where: short stacking energy: -585.786
Base-Backbone interact. energy: -5.450
local terms energy: -626.271358
where:
bonds (distance) C4'-P energy: -110.014
bonds (distance) P-C4' energy: -116.663
flat angles C4'-P-C4' energy: -143.561
flat angles P-C4'-P energy: -90.742
tors. eta vs tors. theta energy: -165.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1890.343765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.343765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.343765 (E_RNA)
where:
Base-Base interactions energy: -1281.117
where: short stacking energy: -535.984
Base-Backbone interact. energy: -4.428
local terms energy: -604.799021
where:
bonds (distance) C4'-P energy: -124.936
bonds (distance) P-C4' energy: -125.134
flat angles C4'-P-C4' energy: -128.983
flat angles P-C4'-P energy: -85.503
tors. eta vs tors. theta energy: -140.243
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: 10
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1783.776026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.776026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.776026 (E_RNA)
where:
Base-Base interactions energy: -1197.835
where: short stacking energy: -511.111
Base-Backbone interact. energy: -2.059
local terms energy: -583.882446
where:
bonds (distance) C4'-P energy: -102.746
bonds (distance) P-C4' energy: -115.117
flat angles C4'-P-C4' energy: -132.532
flat angles P-C4'-P energy: -87.871
tors. eta vs tors. theta energy: -145.615
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: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1619.812961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.812961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.812961 (E_RNA)
where:
Base-Base interactions energy: -1051.058
where: short stacking energy: -466.594
Base-Backbone interact. energy: -2.099
local terms energy: -566.655813
where:
bonds (distance) C4'-P energy: -108.731
bonds (distance) P-C4' energy: -132.056
flat angles C4'-P-C4' energy: -117.164
flat angles P-C4'-P energy: -84.987
tors. eta vs tors. theta energy: -123.719
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: 5, replica: 1
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1674.654965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.654965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.654965 (E_RNA)
where:
Base-Base interactions energy: -1138.516
where: short stacking energy: -475.179
Base-Backbone interact. energy: -2.436
local terms energy: -533.702208
where:
bonds (distance) C4'-P energy: -98.727
bonds (distance) P-C4' energy: -122.328
flat angles C4'-P-C4' energy: -111.280
flat angles P-C4'-P energy: -82.705
tors. eta vs tors. theta energy: -118.663
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: 8
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1389.029715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.029715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.029715 (E_RNA)
where:
Base-Base interactions energy: -875.250
where: short stacking energy: -429.209
Base-Backbone interact. energy: -0.955
local terms energy: -512.825585
where:
bonds (distance) C4'-P energy: -109.731
bonds (distance) P-C4' energy: -124.179
flat angles C4'-P-C4' energy: -123.213
flat angles P-C4'-P energy: -71.908
tors. eta vs tors. theta energy: -83.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1230.947094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.947094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.947094 (E_RNA)
where:
Base-Base interactions energy: -777.640
where: short stacking energy: -386.619
Base-Backbone interact. energy: 2.231
local terms energy: -455.537632
where:
bonds (distance) C4'-P energy: -94.222
bonds (distance) P-C4' energy: -98.185
flat angles C4'-P-C4' energy: -105.386
flat angles P-C4'-P energy: -65.390
tors. eta vs tors. theta energy: -92.356
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: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -754.660605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.660605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.660605 (E_RNA)
where:
Base-Base interactions energy: -401.085
where: short stacking energy: -234.428
Base-Backbone interact. energy: -0.577
local terms energy: -352.999177
where:
bonds (distance) C4'-P energy: -121.850
bonds (distance) P-C4' energy: -92.037
flat angles C4'-P-C4' energy: -91.367
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -9.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -654.005063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.005063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.005063 (E_RNA)
where:
Base-Base interactions energy: -313.193
where: short stacking energy: -171.208
Base-Backbone interact. energy: -2.272
local terms energy: -338.539844
where:
bonds (distance) C4'-P energy: -96.402
bonds (distance) P-C4' energy: -105.998
flat angles C4'-P-C4' energy: -82.005
flat angles P-C4'-P energy: -66.362
tors. eta vs tors. theta energy: 12.228
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: 3
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -472.415431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.415431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.415431 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -132.883
Base-Backbone interact. energy: -0.165
local terms energy: -319.400268
where:
bonds (distance) C4'-P energy: -114.281
bonds (distance) P-C4' energy: -113.870
flat angles C4'-P-C4' energy: -69.183
flat angles P-C4'-P energy: -47.322
tors. eta vs tors. theta energy: 25.256
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1975.126109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.126109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.126109 (E_RNA)
where:
Base-Base interactions energy: -1310.557
where: short stacking energy: -590.316
Base-Backbone interact. energy: -1.303
local terms energy: -663.266390
where:
bonds (distance) C4'-P energy: -127.833
bonds (distance) P-C4' energy: -126.909
flat angles C4'-P-C4' energy: -133.929
flat angles P-C4'-P energy: -111.025
tors. eta vs tors. theta energy: -163.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1909.290610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.290610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.290610 (E_RNA)
where:
Base-Base interactions energy: -1299.505
where: short stacking energy: -546.182
Base-Backbone interact. energy: -2.028
local terms energy: -607.757920
where:
bonds (distance) C4'-P energy: -123.127
bonds (distance) P-C4' energy: -120.649
flat angles C4'-P-C4' energy: -123.945
flat angles P-C4'-P energy: -86.481
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: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1784.723798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.723798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.723798 (E_RNA)
where:
Base-Base interactions energy: -1181.420
where: short stacking energy: -508.204
Base-Backbone interact. energy: -5.023
local terms energy: -598.280528
where:
bonds (distance) C4'-P energy: -117.334
bonds (distance) P-C4' energy: -119.685
flat angles C4'-P-C4' energy: -129.610
flat angles P-C4'-P energy: -101.236
tors. eta vs tors. theta energy: -130.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1764.041867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.041867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.041867 (E_RNA)
where:
Base-Base interactions energy: -1176.725
where: short stacking energy: -510.015
Base-Backbone interact. energy: -2.336
local terms energy: -584.981368
where:
bonds (distance) C4'-P energy: -103.374
bonds (distance) P-C4' energy: -115.308
flat angles C4'-P-C4' energy: -127.395
flat angles P-C4'-P energy: -91.724
tors. eta vs tors. theta energy: -147.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1568.178463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.178463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.178463 (E_RNA)
where:
Base-Base interactions energy: -1035.472
where: short stacking energy: -444.897
Base-Backbone interact. energy: -2.279
local terms energy: -530.427349
where:
bonds (distance) C4'-P energy: -100.104
bonds (distance) P-C4' energy: -115.224
flat angles C4'-P-C4' energy: -121.614
flat angles P-C4'-P energy: -79.847
tors. eta vs tors. theta energy: -113.638
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: 6, replica: 8
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1418.599776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.599776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.599776 (E_RNA)
where:
Base-Base interactions energy: -928.566
where: short stacking energy: -452.954
Base-Backbone interact. energy: 1.252
local terms energy: -491.285265
where:
bonds (distance) C4'-P energy: -89.042
bonds (distance) P-C4' energy: -107.884
flat angles C4'-P-C4' energy: -117.187
flat angles P-C4'-P energy: -63.368
tors. eta vs tors. theta energy: -113.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1196.494573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.494573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.494573 (E_RNA)
where:
Base-Base interactions energy: -738.433
where: short stacking energy: -358.019
Base-Backbone interact. energy: -3.266
local terms energy: -454.795185
where:
bonds (distance) C4'-P energy: -94.700
bonds (distance) P-C4' energy: -102.113
flat angles C4'-P-C4' energy: -114.763
flat angles P-C4'-P energy: -65.137
tors. eta vs tors. theta energy: -78.082
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: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -761.946006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.946006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.946006 (E_RNA)
where:
Base-Base interactions energy: -368.116
where: short stacking energy: -222.287
Base-Backbone interact. energy: 0.353
local terms energy: -394.183450
where:
bonds (distance) C4'-P energy: -81.402
bonds (distance) P-C4' energy: -113.895
flat angles C4'-P-C4' energy: -103.896
flat angles P-C4'-P energy: -73.678
tors. eta vs tors. theta energy: -21.313
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: 2
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -649.471254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.471254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.471254 (E_RNA)
where:
Base-Base interactions energy: -343.002
where: short stacking energy: -185.675
Base-Backbone interact. energy: 1.266
local terms energy: -307.734315
where:
bonds (distance) C4'-P energy: -74.720
bonds (distance) P-C4' energy: -117.965
flat angles C4'-P-C4' energy: -75.312
flat angles P-C4'-P energy: -42.738
tors. eta vs tors. theta energy: 3.001
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: 3
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -491.718410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.718410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.718410 (E_RNA)
where:
Base-Base interactions energy: -163.079
where: short stacking energy: -143.086
Base-Backbone interact. energy: 4.302
local terms energy: -332.941194
where:
bonds (distance) C4'-P energy: -86.169
bonds (distance) P-C4' energy: -110.727
flat angles C4'-P-C4' energy: -76.675
flat angles P-C4'-P energy: -61.298
tors. eta vs tors. theta energy: 1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1991.063300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.063300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.063300 (E_RNA)
where:
Base-Base interactions energy: -1358.597
where: short stacking energy: -593.233
Base-Backbone interact. energy: -0.478
local terms energy: -631.988460
where:
bonds (distance) C4'-P energy: -125.243
bonds (distance) P-C4' energy: -109.168
flat angles C4'-P-C4' energy: -134.475
flat angles P-C4'-P energy: -99.722
tors. eta vs tors. theta energy: -163.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1852.527233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.527233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.527233 (E_RNA)
where:
Base-Base interactions energy: -1254.467
where: short stacking energy: -529.977
Base-Backbone interact. energy: 0.896
local terms energy: -598.956730
where:
bonds (distance) C4'-P energy: -118.518
bonds (distance) P-C4' energy: -119.708
flat angles C4'-P-C4' energy: -140.817
flat angles P-C4'-P energy: -86.469
tors. eta vs tors. theta energy: -133.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1804.578437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.578437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.578437 (E_RNA)
where:
Base-Base interactions energy: -1186.722
where: short stacking energy: -543.527
Base-Backbone interact. energy: -2.699
local terms energy: -615.157111
where:
bonds (distance) C4'-P energy: -126.196
bonds (distance) P-C4' energy: -125.788
flat angles C4'-P-C4' energy: -133.182
flat angles P-C4'-P energy: -80.152
tors. eta vs tors. theta energy: -149.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1789.584818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.584818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.584818 (E_RNA)
where:
Base-Base interactions energy: -1208.238
where: short stacking energy: -521.725
Base-Backbone interact. energy: -4.034
local terms energy: -577.313339
where:
bonds (distance) C4'-P energy: -107.959
bonds (distance) P-C4' energy: -127.170
flat angles C4'-P-C4' energy: -129.335
flat angles P-C4'-P energy: -70.906
tors. eta vs tors. theta energy: -141.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1555.005923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.005923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.005923 (E_RNA)
where:
Base-Base interactions energy: -1033.528
where: short stacking energy: -459.728
Base-Backbone interact. energy: 4.043
local terms energy: -525.520938
where:
bonds (distance) C4'-P energy: -115.660
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -123.904
flat angles P-C4'-P energy: -66.335
tors. eta vs tors. theta energy: -113.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1445.967173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.967173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.967173 (E_RNA)
where:
Base-Base interactions energy: -936.999
where: short stacking energy: -442.449
Base-Backbone interact. energy: 0.249
local terms energy: -509.217554
where:
bonds (distance) C4'-P energy: -98.144
bonds (distance) P-C4' energy: -106.960
flat angles C4'-P-C4' energy: -114.855
flat angles P-C4'-P energy: -69.779
tors. eta vs tors. theta energy: -119.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1188.397925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.397925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.397925 (E_RNA)
where:
Base-Base interactions energy: -728.313
where: short stacking energy: -355.598
Base-Backbone interact. energy: -1.438
local terms energy: -458.647575
where:
bonds (distance) C4'-P energy: -108.323
bonds (distance) P-C4' energy: -99.789
flat angles C4'-P-C4' energy: -112.601
flat angles P-C4'-P energy: -60.411
tors. eta vs tors. theta energy: -77.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -796.212916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.212916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.212916 (E_RNA)
where:
Base-Base interactions energy: -456.241
where: short stacking energy: -230.579
Base-Backbone interact. energy: -1.281
local terms energy: -338.690928
where:
bonds (distance) C4'-P energy: -94.141
bonds (distance) P-C4' energy: -111.657
flat angles C4'-P-C4' energy: -76.211
flat angles P-C4'-P energy: -40.290
tors. eta vs tors. theta energy: -16.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -601.709085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.709085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.709085 (E_RNA)
where:
Base-Base interactions energy: -235.522
where: short stacking energy: -157.127
Base-Backbone interact. energy: 1.918
local terms energy: -368.104937
where:
bonds (distance) C4'-P energy: -112.240
bonds (distance) P-C4' energy: -115.719
flat angles C4'-P-C4' energy: -89.823
flat angles P-C4'-P energy: -64.425
tors. eta vs tors. theta energy: 14.101
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: 3
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -574.248227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.248227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.248227 (E_RNA)
where:
Base-Base interactions energy: -286.126
where: short stacking energy: -176.501
Base-Backbone interact. energy: 3.574
local terms energy: -291.695917
where:
bonds (distance) C4'-P energy: -81.031
bonds (distance) P-C4' energy: -101.669
flat angles C4'-P-C4' energy: -77.403
flat angles P-C4'-P energy: -48.028
tors. eta vs tors. theta energy: 16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1974.662512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.662512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.662512 (E_RNA)
where:
Base-Base interactions energy: -1342.159
where: short stacking energy: -602.868
Base-Backbone interact. energy: -1.963
local terms energy: -630.540612
where:
bonds (distance) C4'-P energy: -113.582
bonds (distance) P-C4' energy: -126.746
flat angles C4'-P-C4' energy: -134.771
flat angles P-C4'-P energy: -91.751
tors. eta vs tors. theta energy: -163.691
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: 9
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1905.263051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.263051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.263051 (E_RNA)
where:
Base-Base interactions energy: -1299.332
where: short stacking energy: -553.893
Base-Backbone interact. energy: -4.416
local terms energy: -601.515674
where:
bonds (distance) C4'-P energy: -110.223
bonds (distance) P-C4' energy: -121.719
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -84.965
tors. eta vs tors. theta energy: -145.722
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: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1813.636686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.636686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.636686 (E_RNA)
where:
Base-Base interactions energy: -1241.766
where: short stacking energy: -552.496
Base-Backbone interact. energy: 0.536
local terms energy: -572.407315
where:
bonds (distance) C4'-P energy: -107.807
bonds (distance) P-C4' energy: -104.618
flat angles C4'-P-C4' energy: -135.899
flat angles P-C4'-P energy: -80.629
tors. eta vs tors. theta energy: -143.454
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: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1770.896487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.896487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.896487 (E_RNA)
where:
Base-Base interactions energy: -1216.133
where: short stacking energy: -531.244
Base-Backbone interact. energy: 4.503
local terms energy: -559.266862
where:
bonds (distance) C4'-P energy: -95.754
bonds (distance) P-C4' energy: -102.518
flat angles C4'-P-C4' energy: -124.994
flat angles P-C4'-P energy: -88.931
tors. eta vs tors. theta energy: -147.069
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: 6
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1581.761811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.761811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.761811 (E_RNA)
where:
Base-Base interactions energy: -1032.262
where: short stacking energy: -462.093
Base-Backbone interact. energy: -2.820
local terms energy: -546.679901
where:
bonds (distance) C4'-P energy: -110.146
bonds (distance) P-C4' energy: -117.667
flat angles C4'-P-C4' energy: -118.942
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -117.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1473.737993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.737993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.737993 (E_RNA)
where:
Base-Base interactions energy: -940.843
where: short stacking energy: -465.342
Base-Backbone interact. energy: -2.449
local terms energy: -530.445978
where:
bonds (distance) C4'-P energy: -117.109
bonds (distance) P-C4' energy: -118.762
flat angles C4'-P-C4' energy: -115.200
flat angles P-C4'-P energy: -55.608
tors. eta vs tors. theta energy: -123.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1191.925851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.925851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.925851 (E_RNA)
where:
Base-Base interactions energy: -729.437
where: short stacking energy: -347.110
Base-Backbone interact. energy: -0.281
local terms energy: -462.207807
where:
bonds (distance) C4'-P energy: -109.132
bonds (distance) P-C4' energy: -121.125
flat angles C4'-P-C4' energy: -101.239
flat angles P-C4'-P energy: -66.813
tors. eta vs tors. theta energy: -63.899
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: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -812.529599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.529599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.529599 (E_RNA)
where:
Base-Base interactions energy: -441.494
where: short stacking energy: -249.755
Base-Backbone interact. energy: -2.953
local terms energy: -368.082257
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -92.217
flat angles C4'-P-C4' energy: -111.637
flat angles P-C4'-P energy: -67.992
tors. eta vs tors. theta energy: 3.270
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: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -569.422685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.422685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.422685 (E_RNA)
where:
Base-Base interactions energy: -246.027
where: short stacking energy: -144.191
Base-Backbone interact. energy: 2.837
local terms energy: -326.231966
where:
bonds (distance) C4'-P energy: -97.028
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -98.671
flat angles P-C4'-P energy: -44.910
tors. eta vs tors. theta energy: 21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -671.505772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.505772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.505772 (E_RNA)
where:
Base-Base interactions energy: -328.310
where: short stacking energy: -172.905
Base-Backbone interact. energy: 0.164
local terms energy: -343.359679
where:
bonds (distance) C4'-P energy: -89.004
bonds (distance) P-C4' energy: -114.801
flat angles C4'-P-C4' energy: -95.229
flat angles P-C4'-P energy: -53.776
tors. eta vs tors. theta energy: 9.450
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: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1968.117171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.117171 (E_RNA)
where:
Base-Base interactions energy: -1329.522
where: short stacking energy: -601.559
Base-Backbone interact. energy: -0.181
local terms energy: -638.414846
where:
bonds (distance) C4'-P energy: -108.834
bonds (distance) P-C4' energy: -130.455
flat angles C4'-P-C4' energy: -133.135
flat angles P-C4'-P energy: -100.784
tors. eta vs tors. theta energy: -165.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1913.800057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.800057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.800057 (E_RNA)
where:
Base-Base interactions energy: -1301.956
where: short stacking energy: -559.395
Base-Backbone interact. energy: -3.865
local terms energy: -607.978453
where:
bonds (distance) C4'-P energy: -126.709
bonds (distance) P-C4' energy: -109.258
flat angles C4'-P-C4' energy: -143.246
flat angles P-C4'-P energy: -81.711
tors. eta vs tors. theta energy: -147.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1812.661550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.661550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.661550 (E_RNA)
where:
Base-Base interactions energy: -1172.859
where: short stacking energy: -529.375
Base-Backbone interact. energy: -3.436
local terms energy: -636.366624
where:
bonds (distance) C4'-P energy: -117.299
bonds (distance) P-C4' energy: -139.782
flat angles C4'-P-C4' energy: -141.997
flat angles P-C4'-P energy: -83.594
tors. eta vs tors. theta energy: -153.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1722.843651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.843651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.843651 (E_RNA)
where:
Base-Base interactions energy: -1156.396
where: short stacking energy: -493.590
Base-Backbone interact. energy: -4.348
local terms energy: -562.099001
where:
bonds (distance) C4'-P energy: -117.321
bonds (distance) P-C4' energy: -119.900
flat angles C4'-P-C4' energy: -112.902
flat angles P-C4'-P energy: -82.308
tors. eta vs tors. theta energy: -129.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1548.913251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.913251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.913251 (E_RNA)
where:
Base-Base interactions energy: -1035.511
where: short stacking energy: -436.360
Base-Backbone interact. energy: -1.716
local terms energy: -511.686152
where:
bonds (distance) C4'-P energy: -123.263
bonds (distance) P-C4' energy: -102.989
flat angles C4'-P-C4' energy: -115.378
flat angles P-C4'-P energy: -66.267
tors. eta vs tors. theta energy: -103.790
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: 8
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1434.158022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.158022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.158022 (E_RNA)
where:
Base-Base interactions energy: -900.633
where: short stacking energy: -423.791
Base-Backbone interact. energy: -1.846
local terms energy: -531.679858
where:
bonds (distance) C4'-P energy: -119.275
bonds (distance) P-C4' energy: -119.720
flat angles C4'-P-C4' energy: -115.290
flat angles P-C4'-P energy: -75.556
tors. eta vs tors. theta energy: -101.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1133.770363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.770363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.770363 (E_RNA)
where:
Base-Base interactions energy: -695.479
where: short stacking energy: -364.218
Base-Backbone interact. energy: -1.445
local terms energy: -436.846936
where:
bonds (distance) C4'-P energy: -94.477
bonds (distance) P-C4' energy: -115.011
flat angles C4'-P-C4' energy: -102.791
flat angles P-C4'-P energy: -56.481
tors. eta vs tors. theta energy: -68.087
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: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -850.969761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.969761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.969761 (E_RNA)
where:
Base-Base interactions energy: -481.654
where: short stacking energy: -261.653
Base-Backbone interact. energy: 4.107
local terms energy: -373.422346
where:
bonds (distance) C4'-P energy: -105.267
bonds (distance) P-C4' energy: -113.387
flat angles C4'-P-C4' energy: -82.938
flat angles P-C4'-P energy: -56.825
tors. eta vs tors. theta energy: -15.004
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: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -772.386508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.386508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.386508 (E_RNA)
where:
Base-Base interactions energy: -410.053
where: short stacking energy: -222.608
Base-Backbone interact. energy: 2.840
local terms energy: -365.173544
where:
bonds (distance) C4'-P energy: -100.889
bonds (distance) P-C4' energy: -86.209
flat angles C4'-P-C4' energy: -96.884
flat angles P-C4'-P energy: -58.041
tors. eta vs tors. theta energy: -23.150
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: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -557.310623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.310623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.310623 (E_RNA)
where:
Base-Base interactions energy: -247.625
where: short stacking energy: -172.189
Base-Backbone interact. energy: -0.317
local terms energy: -309.368694
where:
bonds (distance) C4'-P energy: -98.504
bonds (distance) P-C4' energy: -92.630
flat angles C4'-P-C4' energy: -76.494
flat angles P-C4'-P energy: -58.687
tors. eta vs tors. theta energy: 16.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1971.899589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.899589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.899589 (E_RNA)
where:
Base-Base interactions energy: -1323.019
where: short stacking energy: -561.637
Base-Backbone interact. energy: -0.447
local terms energy: -648.433822
where:
bonds (distance) C4'-P energy: -130.358
bonds (distance) P-C4' energy: -130.900
flat angles C4'-P-C4' energy: -139.967
flat angles P-C4'-P energy: -94.029
tors. eta vs tors. theta energy: -153.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1915.796530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.796530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.796530 (E_RNA)
where:
Base-Base interactions energy: -1318.389
where: short stacking energy: -558.902
Base-Backbone interact. energy: -2.405
local terms energy: -595.002679
where:
bonds (distance) C4'-P energy: -109.132
bonds (distance) P-C4' energy: -123.163
flat angles C4'-P-C4' energy: -130.042
flat angles P-C4'-P energy: -90.478
tors. eta vs tors. theta energy: -142.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1822.197171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.197171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.197171 (E_RNA)
where:
Base-Base interactions energy: -1225.076
where: short stacking energy: -536.713
Base-Backbone interact. energy: -3.060
local terms energy: -594.061200
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -121.147
flat angles C4'-P-C4' energy: -122.620
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -145.544
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: 10
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1703.579019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.579019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.579019 (E_RNA)
where:
Base-Base interactions energy: -1133.389
where: short stacking energy: -467.272
Base-Backbone interact. energy: -2.226
local terms energy: -567.964180
where:
bonds (distance) C4'-P energy: -113.382
bonds (distance) P-C4' energy: -129.445
flat angles C4'-P-C4' energy: -121.572
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -124.913
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: 67
Temperature: 1.100000
Total energy: -1535.042574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.042574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.042574 (E_RNA)
where:
Base-Base interactions energy: -984.620
where: short stacking energy: -459.224
Base-Backbone interact. energy: -0.232
local terms energy: -550.190372
where:
bonds (distance) C4'-P energy: -122.915
bonds (distance) P-C4' energy: -105.714
flat angles C4'-P-C4' energy: -131.871
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -124.301
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: 6, replica: 8
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1425.954298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.954298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.954298 (E_RNA)
where:
Base-Base interactions energy: -958.690
where: short stacking energy: -435.961
Base-Backbone interact. energy: -0.246
local terms energy: -467.018220
where:
bonds (distance) C4'-P energy: -95.802
bonds (distance) P-C4' energy: -103.232
flat angles C4'-P-C4' energy: -107.951
flat angles P-C4'-P energy: -70.882
tors. eta vs tors. theta energy: -89.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1130.585906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.585906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.585906 (E_RNA)
where:
Base-Base interactions energy: -695.844
where: short stacking energy: -322.302
Base-Backbone interact. energy: -3.620
local terms energy: -431.121361
where:
bonds (distance) C4'-P energy: -110.845
bonds (distance) P-C4' energy: -110.759
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -79.023
tors. eta vs tors. theta energy: -36.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -866.889310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.889310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.889310 (E_RNA)
where:
Base-Base interactions energy: -463.577
where: short stacking energy: -248.509
Base-Backbone interact. energy: -1.696
local terms energy: -401.617212
where:
bonds (distance) C4'-P energy: -113.229
bonds (distance) P-C4' energy: -110.999
flat angles C4'-P-C4' energy: -106.074
flat angles P-C4'-P energy: -45.936
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -824.699609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.699609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.699609 (E_RNA)
where:
Base-Base interactions energy: -474.469
where: short stacking energy: -238.110
Base-Backbone interact. energy: -0.641
local terms energy: -349.588908
where:
bonds (distance) C4'-P energy: -84.012
bonds (distance) P-C4' energy: -99.056
flat angles C4'-P-C4' energy: -97.857
flat angles P-C4'-P energy: -54.808
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -537.966244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.966244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.966244 (E_RNA)
where:
Base-Base interactions energy: -220.270
where: short stacking energy: -156.838
Base-Backbone interact. energy: 3.394
local terms energy: -321.090225
where:
bonds (distance) C4'-P energy: -109.695
bonds (distance) P-C4' energy: -112.779
flat angles C4'-P-C4' energy: -60.712
flat angles P-C4'-P energy: -49.473
tors. eta vs tors. theta energy: 11.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2009.425523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.425523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.425523 (E_RNA)
where:
Base-Base interactions energy: -1355.272
where: short stacking energy: -583.955
Base-Backbone interact. energy: -5.005
local terms energy: -649.148287
where:
bonds (distance) C4'-P energy: -111.770
bonds (distance) P-C4' energy: -130.359
flat angles C4'-P-C4' energy: -141.666
flat angles P-C4'-P energy: -91.683
tors. eta vs tors. theta energy: -173.670
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: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1925.190664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.190664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.190664 (E_RNA)
where:
Base-Base interactions energy: -1323.282
where: short stacking energy: -542.662
Base-Backbone interact. energy: -1.281
local terms energy: -600.627815
where:
bonds (distance) C4'-P energy: -119.006
bonds (distance) P-C4' energy: -118.745
flat angles C4'-P-C4' energy: -135.122
flat angles P-C4'-P energy: -85.099
tors. eta vs tors. theta energy: -142.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1785.303227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.303227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.303227 (E_RNA)
where:
Base-Base interactions energy: -1185.770
where: short stacking energy: -523.977
Base-Backbone interact. energy: -0.809
local terms energy: -598.723684
where:
bonds (distance) C4'-P energy: -118.365
bonds (distance) P-C4' energy: -137.956
flat angles C4'-P-C4' energy: -117.075
flat angles P-C4'-P energy: -80.335
tors. eta vs tors. theta energy: -144.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1702.775383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.775383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.775383 (E_RNA)
where:
Base-Base interactions energy: -1151.357
where: short stacking energy: -482.617
Base-Backbone interact. energy: -3.777
local terms energy: -547.641413
where:
bonds (distance) C4'-P energy: -111.483
bonds (distance) P-C4' energy: -109.606
flat angles C4'-P-C4' energy: -123.557
flat angles P-C4'-P energy: -71.571
tors. eta vs tors. theta energy: -131.424
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: 68
Temperature: 1.100000
Total energy: -1568.453918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.453918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.453918 (E_RNA)
where:
Base-Base interactions energy: -1048.176
where: short stacking energy: -481.885
Base-Backbone interact. energy: 2.612
local terms energy: -522.889818
where:
bonds (distance) C4'-P energy: -97.255
bonds (distance) P-C4' energy: -110.013
flat angles C4'-P-C4' energy: -109.270
flat angles P-C4'-P energy: -81.870
tors. eta vs tors. theta energy: -124.481
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: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1428.983764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.983764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.983764 (E_RNA)
where:
Base-Base interactions energy: -899.705
where: short stacking energy: -431.010
Base-Backbone interact. energy: -3.145
local terms energy: -526.133168
where:
bonds (distance) C4'-P energy: -104.289
bonds (distance) P-C4' energy: -126.661
flat angles C4'-P-C4' energy: -112.924
flat angles P-C4'-P energy: -69.132
tors. eta vs tors. theta energy: -113.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1168.231507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.231507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.231507 (E_RNA)
where:
Base-Base interactions energy: -718.007
where: short stacking energy: -361.098
Base-Backbone interact. energy: 1.281
local terms energy: -451.505609
where:
bonds (distance) C4'-P energy: -92.278
bonds (distance) P-C4' energy: -117.055
flat angles C4'-P-C4' energy: -111.007
flat angles P-C4'-P energy: -62.705
tors. eta vs tors. theta energy: -68.461
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: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -879.084908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.084908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.084908 (E_RNA)
where:
Base-Base interactions energy: -497.101
where: short stacking energy: -268.278
Base-Backbone interact. energy: 0.553
local terms energy: -382.536987
where:
bonds (distance) C4'-P energy: -90.506
bonds (distance) P-C4' energy: -109.564
flat angles C4'-P-C4' energy: -97.772
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -25.504
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: 3
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -852.189718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.189718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.189718 (E_RNA)
where:
Base-Base interactions energy: -480.575
where: short stacking energy: -255.419
Base-Backbone interact. energy: -0.732
local terms energy: -370.883244
where:
bonds (distance) C4'-P energy: -85.445
bonds (distance) P-C4' energy: -115.857
flat angles C4'-P-C4' energy: -106.709
flat angles P-C4'-P energy: -43.908
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -520.404728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.404728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.404728 (E_RNA)
where:
Base-Base interactions energy: -221.584
where: short stacking energy: -168.359
Base-Backbone interact. energy: 4.535
local terms energy: -303.356196
where:
bonds (distance) C4'-P energy: -112.262
bonds (distance) P-C4' energy: -100.006
flat angles C4'-P-C4' energy: -83.489
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: 25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1942.988500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.988500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.988500 (E_RNA)
where:
Base-Base interactions energy: -1315.120
where: short stacking energy: -573.941
Base-Backbone interact. energy: -3.534
local terms energy: -624.334657
where:
bonds (distance) C4'-P energy: -115.306
bonds (distance) P-C4' energy: -125.690
flat angles C4'-P-C4' energy: -133.959
flat angles P-C4'-P energy: -88.784
tors. eta vs tors. theta energy: -160.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1903.882537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.882537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.882537 (E_RNA)
where:
Base-Base interactions energy: -1290.852
where: short stacking energy: -527.165
Base-Backbone interact. energy: -5.975
local terms energy: -607.055680
where:
bonds (distance) C4'-P energy: -108.846
bonds (distance) P-C4' energy: -124.667
flat angles C4'-P-C4' energy: -131.449
flat angles P-C4'-P energy: -99.164
tors. eta vs tors. theta energy: -142.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1860.346772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.346772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.346772 (E_RNA)
where:
Base-Base interactions energy: -1247.903
where: short stacking energy: -550.477
Base-Backbone interact. energy: 1.653
local terms energy: -614.097136
where:
bonds (distance) C4'-P energy: -114.017
bonds (distance) P-C4' energy: -119.157
flat angles C4'-P-C4' energy: -129.788
flat angles P-C4'-P energy: -94.275
tors. eta vs tors. theta energy: -156.860
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: 69
Temperature: 1.050000
Total energy: -1730.267563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.267563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.267563 (E_RNA)
where:
Base-Base interactions energy: -1161.329
where: short stacking energy: -520.203
Base-Backbone interact. energy: -0.687
local terms energy: -568.252206
where:
bonds (distance) C4'-P energy: -113.407
bonds (distance) P-C4' energy: -121.840
flat angles C4'-P-C4' energy: -124.524
flat angles P-C4'-P energy: -80.024
tors. eta vs tors. theta energy: -128.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1515.123294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.123294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.123294 (E_RNA)
where:
Base-Base interactions energy: -1018.647
where: short stacking energy: -438.341
Base-Backbone interact. energy: -1.921
local terms energy: -494.555331
where:
bonds (distance) C4'-P energy: -93.879
bonds (distance) P-C4' energy: -103.934
flat angles C4'-P-C4' energy: -119.156
flat angles P-C4'-P energy: -77.257
tors. eta vs tors. theta energy: -100.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1464.509975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.509975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.509975 (E_RNA)
where:
Base-Base interactions energy: -979.181
where: short stacking energy: -462.317
Base-Backbone interact. energy: -0.281
local terms energy: -485.047550
where:
bonds (distance) C4'-P energy: -86.927
bonds (distance) P-C4' energy: -118.458
flat angles C4'-P-C4' energy: -102.878
flat angles P-C4'-P energy: -71.672
tors. eta vs tors. theta energy: -105.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1189.247868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.247868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.247868 (E_RNA)
where:
Base-Base interactions energy: -725.775
where: short stacking energy: -342.342
Base-Backbone interact. energy: -3.255
local terms energy: -460.217900
where:
bonds (distance) C4'-P energy: -106.518
bonds (distance) P-C4' energy: -102.370
flat angles C4'-P-C4' energy: -114.898
flat angles P-C4'-P energy: -72.744
tors. eta vs tors. theta energy: -63.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -922.319135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.319135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.319135 (E_RNA)
where:
Base-Base interactions energy: -521.901
where: short stacking energy: -275.539
Base-Backbone interact. energy: -2.324
local terms energy: -398.094021
where:
bonds (distance) C4'-P energy: -102.980
bonds (distance) P-C4' energy: -113.283
flat angles C4'-P-C4' energy: -101.533
flat angles P-C4'-P energy: -55.875
tors. eta vs tors. theta energy: -24.424
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: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -823.362718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.362718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.362718 (E_RNA)
where:
Base-Base interactions energy: -484.168
where: short stacking energy: -271.219
Base-Backbone interact. energy: 0.873
local terms energy: -340.068191
where:
bonds (distance) C4'-P energy: -88.160
bonds (distance) P-C4' energy: -87.522
flat angles C4'-P-C4' energy: -78.829
flat angles P-C4'-P energy: -62.047
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -524.503085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.503085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.503085 (E_RNA)
where:
Base-Base interactions energy: -212.906
where: short stacking energy: -142.219
Base-Backbone interact. energy: 5.381
local terms energy: -316.978566
where:
bonds (distance) C4'-P energy: -78.102
bonds (distance) P-C4' energy: -112.560
flat angles C4'-P-C4' energy: -85.745
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: 11.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1938.719447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.719447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.719447 (E_RNA)
where:
Base-Base interactions energy: -1322.407
where: short stacking energy: -559.697
Base-Backbone interact. energy: -4.860
local terms energy: -611.452477
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -131.293
flat angles C4'-P-C4' energy: -132.045
flat angles P-C4'-P energy: -84.049
tors. eta vs tors. theta energy: -151.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1931.112385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.112385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.112385 (E_RNA)
where:
Base-Base interactions energy: -1334.980
where: short stacking energy: -541.104
Base-Backbone interact. energy: -1.100
local terms energy: -595.031704
where:
bonds (distance) C4'-P energy: -115.139
bonds (distance) P-C4' energy: -130.647
flat angles C4'-P-C4' energy: -123.189
flat angles P-C4'-P energy: -88.789
tors. eta vs tors. theta energy: -137.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1869.229050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.229050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.229050 (E_RNA)
where:
Base-Base interactions energy: -1249.059
where: short stacking energy: -539.056
Base-Backbone interact. energy: -3.568
local terms energy: -616.602060
where:
bonds (distance) C4'-P energy: -114.506
bonds (distance) P-C4' energy: -125.363
flat angles C4'-P-C4' energy: -126.453
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -165.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1712.129443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.129443 (E_RNA)
where:
Base-Base interactions energy: -1140.386
where: short stacking energy: -495.596
Base-Backbone interact. energy: 2.543
local terms energy: -574.286238
where:
bonds (distance) C4'-P energy: -114.441
bonds (distance) P-C4' energy: -121.307
flat angles C4'-P-C4' energy: -130.547
flat angles P-C4'-P energy: -74.893
tors. eta vs tors. theta energy: -133.098
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: 70
Temperature: 1.100000
Total energy: -1546.657460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.657460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.657460 (E_RNA)
where:
Base-Base interactions energy: -1025.233
where: short stacking energy: -454.145
Base-Backbone interact. energy: -5.457
local terms energy: -515.967827
where:
bonds (distance) C4'-P energy: -104.769
bonds (distance) P-C4' energy: -118.240
flat angles C4'-P-C4' energy: -120.236
flat angles P-C4'-P energy: -66.281
tors. eta vs tors. theta energy: -106.442
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1481.287760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.287760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.287760 (E_RNA)
where:
Base-Base interactions energy: -952.427
where: short stacking energy: -426.236
Base-Backbone interact. energy: -2.520
local terms energy: -526.340637
where:
bonds (distance) C4'-P energy: -106.602
bonds (distance) P-C4' energy: -119.534
flat angles C4'-P-C4' energy: -122.464
flat angles P-C4'-P energy: -74.041
tors. eta vs tors. theta energy: -103.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1161.561671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.561671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.561671 (E_RNA)
where:
Base-Base interactions energy: -700.280
where: short stacking energy: -325.746
Base-Backbone interact. energy: 0.650
local terms energy: -461.931670
where:
bonds (distance) C4'-P energy: -114.141
bonds (distance) P-C4' energy: -116.169
flat angles C4'-P-C4' energy: -106.008
flat angles P-C4'-P energy: -56.304
tors. eta vs tors. theta energy: -69.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -976.171767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.171767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.171767 (E_RNA)
where:
Base-Base interactions energy: -588.819
where: short stacking energy: -286.846
Base-Backbone interact. energy: 1.584
local terms energy: -388.936625
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -91.823
flat angles C4'-P-C4' energy: -100.695
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -31.267
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: 5
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -785.079614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.079614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.079614 (E_RNA)
where:
Base-Base interactions energy: -445.654
where: short stacking energy: -228.421
Base-Backbone interact. energy: 7.346
local terms energy: -346.771071
where:
bonds (distance) C4'-P energy: -93.839
bonds (distance) P-C4' energy: -108.490
flat angles C4'-P-C4' energy: -94.066
flat angles P-C4'-P energy: -53.396
tors. eta vs tors. theta energy: 3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -530.957059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.957059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.957059 (E_RNA)
where:
Base-Base interactions energy: -249.237
where: short stacking energy: -168.170
Base-Backbone interact. energy: 1.701
local terms energy: -283.420777
where:
bonds (distance) C4'-P energy: -76.961
bonds (distance) P-C4' energy: -93.247
flat angles C4'-P-C4' energy: -74.556
flat angles P-C4'-P energy: -61.347
tors. eta vs tors. theta energy: 22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1955.521309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.521309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.521309 (E_RNA)
where:
Base-Base interactions energy: -1308.496
where: short stacking energy: -575.975
Base-Backbone interact. energy: -4.145
local terms energy: -642.880516
where:
bonds (distance) C4'-P energy: -123.850
bonds (distance) P-C4' energy: -125.875
flat angles C4'-P-C4' energy: -139.061
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -157.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1956.694928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.694928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.694928 (E_RNA)
where:
Base-Base interactions energy: -1343.906
where: short stacking energy: -554.292
Base-Backbone interact. energy: -4.205
local terms energy: -608.583642
where:
bonds (distance) C4'-P energy: -123.016
bonds (distance) P-C4' energy: -126.534
flat angles C4'-P-C4' energy: -140.394
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -144.870
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: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1848.109520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.109520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.109520 (E_RNA)
where:
Base-Base interactions energy: -1226.705
where: short stacking energy: -539.948
Base-Backbone interact. energy: -3.368
local terms energy: -618.036371
where:
bonds (distance) C4'-P energy: -119.312
bonds (distance) P-C4' energy: -122.125
flat angles C4'-P-C4' energy: -131.944
flat angles P-C4'-P energy: -84.553
tors. eta vs tors. theta energy: -160.103
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: 10
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1682.216590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.216590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.216590 (E_RNA)
where:
Base-Base interactions energy: -1132.340
where: short stacking energy: -504.477
Base-Backbone interact. energy: -3.128
local terms energy: -546.748766
where:
bonds (distance) C4'-P energy: -86.973
bonds (distance) P-C4' energy: -114.601
flat angles C4'-P-C4' energy: -124.627
flat angles P-C4'-P energy: -91.778
tors. eta vs tors. theta energy: -128.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1525.748549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.748549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.748549 (E_RNA)
where:
Base-Base interactions energy: -1002.172
where: short stacking energy: -472.814
Base-Backbone interact. energy: -2.046
local terms energy: -521.530934
where:
bonds (distance) C4'-P energy: -103.587
bonds (distance) P-C4' energy: -114.487
flat angles C4'-P-C4' energy: -118.414
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -110.999
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: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1498.739544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.739544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.739544 (E_RNA)
where:
Base-Base interactions energy: -962.762
where: short stacking energy: -428.005
Base-Backbone interact. energy: -4.086
local terms energy: -531.891475
where:
bonds (distance) C4'-P energy: -116.997
bonds (distance) P-C4' energy: -122.006
flat angles C4'-P-C4' energy: -112.159
flat angles P-C4'-P energy: -78.306
tors. eta vs tors. theta energy: -102.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1179.318158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.318158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.318158 (E_RNA)
where:
Base-Base interactions energy: -749.695
where: short stacking energy: -357.966
Base-Backbone interact. energy: 0.830
local terms energy: -430.453699
where:
bonds (distance) C4'-P energy: -86.822
bonds (distance) P-C4' energy: -90.178
flat angles C4'-P-C4' energy: -95.814
flat angles P-C4'-P energy: -72.447
tors. eta vs tors. theta energy: -85.193
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: 3
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -960.940399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.940399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.940399 (E_RNA)
where:
Base-Base interactions energy: -548.585
where: short stacking energy: -286.745
Base-Backbone interact. energy: 1.467
local terms energy: -413.822717
where:
bonds (distance) C4'-P energy: -109.636
bonds (distance) P-C4' energy: -121.559
flat angles C4'-P-C4' energy: -86.191
flat angles P-C4'-P energy: -64.787
tors. eta vs tors. theta energy: -31.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -831.025287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.025287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.025287 (E_RNA)
where:
Base-Base interactions energy: -485.124
where: short stacking energy: -237.460
Base-Backbone interact. energy: -0.558
local terms energy: -345.343917
where:
bonds (distance) C4'-P energy: -87.758
bonds (distance) P-C4' energy: -112.567
flat angles C4'-P-C4' energy: -91.777
flat angles P-C4'-P energy: -43.020
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -499.161058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.161058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.161058 (E_RNA)
where:
Base-Base interactions energy: -194.661
where: short stacking energy: -129.081
Base-Backbone interact. energy: -2.726
local terms energy: -301.774073
where:
bonds (distance) C4'-P energy: -101.635
bonds (distance) P-C4' energy: -91.736
flat angles C4'-P-C4' energy: -80.148
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: 18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1922.050517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.050517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.050517 (E_RNA)
where:
Base-Base interactions energy: -1288.818
where: short stacking energy: -584.360
Base-Backbone interact. energy: -2.098
local terms energy: -631.134385
where:
bonds (distance) C4'-P energy: -112.248
bonds (distance) P-C4' energy: -133.507
flat angles C4'-P-C4' energy: -140.454
flat angles P-C4'-P energy: -86.100
tors. eta vs tors. theta energy: -158.825
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: 9
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2003.308029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.308029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.308029 (E_RNA)
where:
Base-Base interactions energy: -1389.172
where: short stacking energy: -562.600
Base-Backbone interact. energy: -3.366
local terms energy: -610.769594
where:
bonds (distance) C4'-P energy: -118.391
bonds (distance) P-C4' energy: -134.475
flat angles C4'-P-C4' energy: -126.312
flat angles P-C4'-P energy: -82.893
tors. eta vs tors. theta energy: -148.699
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: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1855.973175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.973175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.973175 (E_RNA)
where:
Base-Base interactions energy: -1255.364
where: short stacking energy: -559.134
Base-Backbone interact. energy: 0.221
local terms energy: -600.830373
where:
bonds (distance) C4'-P energy: -107.722
bonds (distance) P-C4' energy: -122.271
flat angles C4'-P-C4' energy: -131.637
flat angles P-C4'-P energy: -84.164
tors. eta vs tors. theta energy: -155.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1658.217157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.217157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.217157 (E_RNA)
where:
Base-Base interactions energy: -1145.184
where: short stacking energy: -478.639
Base-Backbone interact. energy: -0.334
local terms energy: -512.698551
where:
bonds (distance) C4'-P energy: -100.873
bonds (distance) P-C4' energy: -113.677
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -105.088
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: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1587.365512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.365512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.365512 (E_RNA)
where:
Base-Base interactions energy: -1047.694
where: short stacking energy: -472.124
Base-Backbone interact. energy: -1.067
local terms energy: -538.604491
where:
bonds (distance) C4'-P energy: -104.615
bonds (distance) P-C4' energy: -114.035
flat angles C4'-P-C4' energy: -118.492
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -114.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1425.902202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.902202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.902202 (E_RNA)
where:
Base-Base interactions energy: -929.604
where: short stacking energy: -437.450
Base-Backbone interact. energy: -2.878
local terms energy: -493.420734
where:
bonds (distance) C4'-P energy: -110.513
bonds (distance) P-C4' energy: -112.534
flat angles C4'-P-C4' energy: -102.767
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -95.374
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: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1139.508690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.508690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.508690 (E_RNA)
where:
Base-Base interactions energy: -703.711
where: short stacking energy: -329.786
Base-Backbone interact. energy: -2.053
local terms energy: -433.744412
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -94.441
flat angles P-C4'-P energy: -63.012
tors. eta vs tors. theta energy: -47.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -970.633337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.633337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.633337 (E_RNA)
where:
Base-Base interactions energy: -544.270
where: short stacking energy: -270.421
Base-Backbone interact. energy: -1.187
local terms energy: -425.176171
where:
bonds (distance) C4'-P energy: -109.768
bonds (distance) P-C4' energy: -108.326
flat angles C4'-P-C4' energy: -121.606
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -29.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -798.377276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.377276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.377276 (E_RNA)
where:
Base-Base interactions energy: -413.545
where: short stacking energy: -229.451
Base-Backbone interact. energy: 1.305
local terms energy: -386.137969
where:
bonds (distance) C4'-P energy: -95.572
bonds (distance) P-C4' energy: -106.115
flat angles C4'-P-C4' energy: -107.506
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -505.638130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.638130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.638130 (E_RNA)
where:
Base-Base interactions energy: -196.817
where: short stacking energy: -151.041
Base-Backbone interact. energy: 1.630
local terms energy: -310.451434
where:
bonds (distance) C4'-P energy: -110.649
bonds (distance) P-C4' energy: -118.955
flat angles C4'-P-C4' energy: -74.919
flat angles P-C4'-P energy: -25.472
tors. eta vs tors. theta energy: 19.543
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: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1926.535964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.535964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.535964 (E_RNA)
where:
Base-Base interactions energy: -1279.200
where: short stacking energy: -577.201
Base-Backbone interact. energy: -0.432
local terms energy: -646.904200
where:
bonds (distance) C4'-P energy: -119.464
bonds (distance) P-C4' energy: -126.526
flat angles C4'-P-C4' energy: -144.545
flat angles P-C4'-P energy: -92.717
tors. eta vs tors. theta energy: -163.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1972.303495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.303495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.303495 (E_RNA)
where:
Base-Base interactions energy: -1348.750
where: short stacking energy: -565.313
Base-Backbone interact. energy: -5.645
local terms energy: -617.908636
where:
bonds (distance) C4'-P energy: -114.420
bonds (distance) P-C4' energy: -121.304
flat angles C4'-P-C4' energy: -138.264
flat angles P-C4'-P energy: -92.267
tors. eta vs tors. theta energy: -151.655
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: 1
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1834.727416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.727416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.727416 (E_RNA)
where:
Base-Base interactions energy: -1234.107
where: short stacking energy: -574.005
Base-Backbone interact. energy: 1.624
local terms energy: -602.244115
where:
bonds (distance) C4'-P energy: -113.601
bonds (distance) P-C4' energy: -115.805
flat angles C4'-P-C4' energy: -133.319
flat angles P-C4'-P energy: -84.209
tors. eta vs tors. theta energy: -155.309
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: 73
Temperature: 1.050000
Total energy: -1751.533190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.533190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.533190 (E_RNA)
where:
Base-Base interactions energy: -1187.586
where: short stacking energy: -523.197
Base-Backbone interact. energy: -4.199
local terms energy: -559.747510
where:
bonds (distance) C4'-P energy: -102.524
bonds (distance) P-C4' energy: -112.479
flat angles C4'-P-C4' energy: -123.769
flat angles P-C4'-P energy: -86.761
tors. eta vs tors. theta energy: -134.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1681.317872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.317872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.317872 (E_RNA)
where:
Base-Base interactions energy: -1126.826
where: short stacking energy: -498.395
Base-Backbone interact. energy: -1.528
local terms energy: -552.963840
where:
bonds (distance) C4'-P energy: -106.338
bonds (distance) P-C4' energy: -111.567
flat angles C4'-P-C4' energy: -121.607
flat angles P-C4'-P energy: -83.610
tors. eta vs tors. theta energy: -129.843
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: 6, replica: 6
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1503.636715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.636715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.636715 (E_RNA)
where:
Base-Base interactions energy: -967.992
where: short stacking energy: -427.784
Base-Backbone interact. energy: -4.486
local terms energy: -531.159011
where:
bonds (distance) C4'-P energy: -112.342
bonds (distance) P-C4' energy: -125.567
flat angles C4'-P-C4' energy: -124.009
flat angles P-C4'-P energy: -67.357
tors. eta vs tors. theta energy: -101.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1173.200379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.200379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.200379 (E_RNA)
where:
Base-Base interactions energy: -692.613
where: short stacking energy: -345.075
Base-Backbone interact. energy: -2.002
local terms energy: -478.585951
where:
bonds (distance) C4'-P energy: -119.545
bonds (distance) P-C4' energy: -116.692
flat angles C4'-P-C4' energy: -111.620
flat angles P-C4'-P energy: -56.230
tors. eta vs tors. theta energy: -74.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -975.679806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.679806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.679806 (E_RNA)
where:
Base-Base interactions energy: -546.990
where: short stacking energy: -291.873
Base-Backbone interact. energy: -1.452
local terms energy: -427.237768
where:
bonds (distance) C4'-P energy: -102.490
bonds (distance) P-C4' energy: -107.663
flat angles C4'-P-C4' energy: -113.578
flat angles P-C4'-P energy: -67.556
tors. eta vs tors. theta energy: -35.951
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: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -783.148196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.148196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.148196 (E_RNA)
where:
Base-Base interactions energy: -409.838
where: short stacking energy: -235.169
Base-Backbone interact. energy: -2.241
local terms energy: -371.068678
where:
bonds (distance) C4'-P energy: -110.780
bonds (distance) P-C4' energy: -114.369
flat angles C4'-P-C4' energy: -60.843
flat angles P-C4'-P energy: -64.283
tors. eta vs tors. theta energy: -20.794
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: 2
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -526.155503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.155503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.155503 (E_RNA)
where:
Base-Base interactions energy: -246.633
where: short stacking energy: -158.072
Base-Backbone interact. energy: 4.738
local terms energy: -284.260177
where:
bonds (distance) C4'-P energy: -88.155
bonds (distance) P-C4' energy: -115.358
flat angles C4'-P-C4' energy: -53.167
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: 12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2039.560043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.560043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.560043 (E_RNA)
where:
Base-Base interactions energy: -1401.555
where: short stacking energy: -564.863
Base-Backbone interact. energy: 0.899
local terms energy: -638.904265
where:
bonds (distance) C4'-P energy: -120.276
bonds (distance) P-C4' energy: -128.161
flat angles C4'-P-C4' energy: -149.185
flat angles P-C4'-P energy: -95.956
tors. eta vs tors. theta energy: -145.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1894.705964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.705964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.705964 (E_RNA)
where:
Base-Base interactions energy: -1253.576
where: short stacking energy: -560.763
Base-Backbone interact. energy: -1.403
local terms energy: -639.727023
where:
bonds (distance) C4'-P energy: -121.067
bonds (distance) P-C4' energy: -122.356
flat angles C4'-P-C4' energy: -137.757
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -160.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1781.088906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.088906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.088906 (E_RNA)
where:
Base-Base interactions energy: -1207.733
where: short stacking energy: -520.766
Base-Backbone interact. energy: 1.206
local terms energy: -574.561922
where:
bonds (distance) C4'-P energy: -118.793
bonds (distance) P-C4' energy: -123.761
flat angles C4'-P-C4' energy: -123.202
flat angles P-C4'-P energy: -80.981
tors. eta vs tors. theta energy: -127.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1762.631464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.631464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.631464 (E_RNA)
where:
Base-Base interactions energy: -1186.744
where: short stacking energy: -514.657
Base-Backbone interact. energy: 0.878
local terms energy: -576.765244
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -123.207
flat angles C4'-P-C4' energy: -136.468
flat angles P-C4'-P energy: -77.546
tors. eta vs tors. theta energy: -140.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1627.656570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.656570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.656570 (E_RNA)
where:
Base-Base interactions energy: -1068.072
where: short stacking energy: -451.766
Base-Backbone interact. energy: 0.082
local terms energy: -559.666847
where:
bonds (distance) C4'-P energy: -124.376
bonds (distance) P-C4' energy: -118.294
flat angles C4'-P-C4' energy: -125.763
flat angles P-C4'-P energy: -73.086
tors. eta vs tors. theta energy: -118.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1394.356797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.356797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.356797 (E_RNA)
where:
Base-Base interactions energy: -894.477
where: short stacking energy: -393.679
Base-Backbone interact. energy: 0.494
local terms energy: -500.373829
where:
bonds (distance) C4'-P energy: -95.411
bonds (distance) P-C4' energy: -111.112
flat angles C4'-P-C4' energy: -127.688
flat angles P-C4'-P energy: -67.579
tors. eta vs tors. theta energy: -98.584
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: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1168.112817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.112817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.112817 (E_RNA)
where:
Base-Base interactions energy: -701.601
where: short stacking energy: -348.509
Base-Backbone interact. energy: -0.892
local terms energy: -465.619903
where:
bonds (distance) C4'-P energy: -107.669
bonds (distance) P-C4' energy: -100.663
flat angles C4'-P-C4' energy: -117.138
flat angles P-C4'-P energy: -78.078
tors. eta vs tors. theta energy: -62.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -952.956360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.956360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.956360 (E_RNA)
where:
Base-Base interactions energy: -557.451
where: short stacking energy: -270.859
Base-Backbone interact. energy: -1.431
local terms energy: -394.074828
where:
bonds (distance) C4'-P energy: -97.024
bonds (distance) P-C4' energy: -102.806
flat angles C4'-P-C4' energy: -95.317
flat angles P-C4'-P energy: -63.157
tors. eta vs tors. theta energy: -35.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -863.281050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.281050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.281050 (E_RNA)
where:
Base-Base interactions energy: -446.273
where: short stacking energy: -242.040
Base-Backbone interact. energy: 4.070
local terms energy: -421.078010
where:
bonds (distance) C4'-P energy: -125.312
bonds (distance) P-C4' energy: -108.437
flat angles C4'-P-C4' energy: -96.957
flat angles P-C4'-P energy: -69.747
tors. eta vs tors. theta energy: -20.625
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: 2
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -517.310333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.310333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.310333 (E_RNA)
where:
Base-Base interactions energy: -194.414
where: short stacking energy: -151.050
Base-Backbone interact. energy: -3.613
local terms energy: -319.283014
where:
bonds (distance) C4'-P energy: -105.823
bonds (distance) P-C4' energy: -91.528
flat angles C4'-P-C4' energy: -89.498
flat angles P-C4'-P energy: -60.860
tors. eta vs tors. theta energy: 28.426
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: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2020.352791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.352791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.352791 (E_RNA)
where:
Base-Base interactions energy: -1403.514
where: short stacking energy: -553.774
Base-Backbone interact. energy: -6.440
local terms energy: -610.399171
where:
bonds (distance) C4'-P energy: -125.902
bonds (distance) P-C4' energy: -115.697
flat angles C4'-P-C4' energy: -124.712
flat angles P-C4'-P energy: -95.570
tors. eta vs tors. theta energy: -148.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1902.270359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.270359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.270359 (E_RNA)
where:
Base-Base interactions energy: -1267.991
where: short stacking energy: -564.668
Base-Backbone interact. energy: 0.011
local terms energy: -634.290805
where:
bonds (distance) C4'-P energy: -123.148
bonds (distance) P-C4' energy: -120.776
flat angles C4'-P-C4' energy: -135.435
flat angles P-C4'-P energy: -93.248
tors. eta vs tors. theta energy: -161.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1787.918751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.918751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.918751 (E_RNA)
where:
Base-Base interactions energy: -1215.242
where: short stacking energy: -527.741
Base-Backbone interact. energy: 0.974
local terms energy: -573.650825
where:
bonds (distance) C4'-P energy: -115.907
bonds (distance) P-C4' energy: -106.105
flat angles C4'-P-C4' energy: -129.647
flat angles P-C4'-P energy: -77.034
tors. eta vs tors. theta energy: -144.959
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: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1752.548937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.548937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.548937 (E_RNA)
where:
Base-Base interactions energy: -1170.489
where: short stacking energy: -509.137
Base-Backbone interact. energy: -2.051
local terms energy: -580.008366
where:
bonds (distance) C4'-P energy: -124.595
bonds (distance) P-C4' energy: -109.027
flat angles C4'-P-C4' energy: -142.735
flat angles P-C4'-P energy: -73.086
tors. eta vs tors. theta energy: -130.565
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: 8
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1682.308171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.308171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.308171 (E_RNA)
where:
Base-Base interactions energy: -1099.569
where: short stacking energy: -473.376
Base-Backbone interact. energy: -1.588
local terms energy: -581.151179
where:
bonds (distance) C4'-P energy: -112.453
bonds (distance) P-C4' energy: -124.087
flat angles C4'-P-C4' energy: -130.008
flat angles P-C4'-P energy: -81.389
tors. eta vs tors. theta energy: -133.214
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: 6
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1361.294871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.294871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.294871 (E_RNA)
where:
Base-Base interactions energy: -890.609
where: short stacking energy: -396.355
Base-Backbone interact. energy: 0.432
local terms energy: -471.118335
where:
bonds (distance) C4'-P energy: -108.482
bonds (distance) P-C4' energy: -93.186
flat angles C4'-P-C4' energy: -118.793
flat angles P-C4'-P energy: -66.804
tors. eta vs tors. theta energy: -83.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1138.759659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.759659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.759659 (E_RNA)
where:
Base-Base interactions energy: -708.553
where: short stacking energy: -354.772
Base-Backbone interact. energy: 2.532
local terms energy: -432.737864
where:
bonds (distance) C4'-P energy: -108.333
bonds (distance) P-C4' energy: -87.254
flat angles C4'-P-C4' energy: -95.479
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: -61.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -960.929473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.929473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.929473 (E_RNA)
where:
Base-Base interactions energy: -574.273
where: short stacking energy: -278.168
Base-Backbone interact. energy: 0.023
local terms energy: -386.678889
where:
bonds (distance) C4'-P energy: -82.231
bonds (distance) P-C4' energy: -110.254
flat angles C4'-P-C4' energy: -99.933
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -41.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -863.940363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.940363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.940363 (E_RNA)
where:
Base-Base interactions energy: -484.239
where: short stacking energy: -256.552
Base-Backbone interact. energy: -0.028
local terms energy: -379.673568
where:
bonds (distance) C4'-P energy: -99.240
bonds (distance) P-C4' energy: -96.567
flat angles C4'-P-C4' energy: -103.732
flat angles P-C4'-P energy: -58.075
tors. eta vs tors. theta energy: -22.059
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: 2
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -588.710918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.710918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.710918 (E_RNA)
where:
Base-Base interactions energy: -228.131
where: short stacking energy: -149.525
Base-Backbone interact. energy: 3.399
local terms energy: -363.978144
where:
bonds (distance) C4'-P energy: -117.778
bonds (distance) P-C4' energy: -102.748
flat angles C4'-P-C4' energy: -93.601
flat angles P-C4'-P energy: -61.234
tors. eta vs tors. theta energy: 11.382
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: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2058.803352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.803352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.803352 (E_RNA)
where:
Base-Base interactions energy: -1424.196
where: short stacking energy: -588.627
Base-Backbone interact. energy: 1.371
local terms energy: -635.978301
where:
bonds (distance) C4'-P energy: -107.938
bonds (distance) P-C4' energy: -129.287
flat angles C4'-P-C4' energy: -141.293
flat angles P-C4'-P energy: -105.483
tors. eta vs tors. theta energy: -151.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1891.481931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.481931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.481931 (E_RNA)
where:
Base-Base interactions energy: -1275.141
where: short stacking energy: -559.444
Base-Backbone interact. energy: -2.602
local terms energy: -613.739291
where:
bonds (distance) C4'-P energy: -126.015
bonds (distance) P-C4' energy: -123.120
flat angles C4'-P-C4' energy: -136.016
flat angles P-C4'-P energy: -75.850
tors. eta vs tors. theta energy: -152.739
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: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1770.308045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.308045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.308045 (E_RNA)
where:
Base-Base interactions energy: -1188.843
where: short stacking energy: -499.361
Base-Backbone interact. energy: -0.777
local terms energy: -580.687747
where:
bonds (distance) C4'-P energy: -120.986
bonds (distance) P-C4' energy: -113.897
flat angles C4'-P-C4' energy: -130.295
flat angles P-C4'-P energy: -75.683
tors. eta vs tors. theta energy: -139.827
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1835.885435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.885435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.885435 (E_RNA)
where:
Base-Base interactions energy: -1254.220
where: short stacking energy: -553.281
Base-Backbone interact. energy: -2.107
local terms energy: -579.558032
where:
bonds (distance) C4'-P energy: -115.741
bonds (distance) P-C4' energy: -111.721
flat angles C4'-P-C4' energy: -118.820
flat angles P-C4'-P energy: -85.950
tors. eta vs tors. theta energy: -147.326
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: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1664.050292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.050292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.050292 (E_RNA)
where:
Base-Base interactions energy: -1128.963
where: short stacking energy: -491.294
Base-Backbone interact. energy: -2.290
local terms energy: -532.796797
where:
bonds (distance) C4'-P energy: -98.850
bonds (distance) P-C4' energy: -108.780
flat angles C4'-P-C4' energy: -117.262
flat angles P-C4'-P energy: -88.019
tors. eta vs tors. theta energy: -119.887
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: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1393.398977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.398977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.398977 (E_RNA)
where:
Base-Base interactions energy: -924.411
where: short stacking energy: -401.963
Base-Backbone interact. energy: -1.056
local terms energy: -467.931649
where:
bonds (distance) C4'-P energy: -101.676
bonds (distance) P-C4' energy: -106.628
flat angles C4'-P-C4' energy: -112.763
flat angles P-C4'-P energy: -60.772
tors. eta vs tors. theta energy: -86.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1170.226047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.226047 (E_RNA)
where:
Base-Base interactions energy: -702.825
where: short stacking energy: -335.206
Base-Backbone interact. energy: -2.241
local terms energy: -465.160195
where:
bonds (distance) C4'-P energy: -96.125
bonds (distance) P-C4' energy: -107.781
flat angles C4'-P-C4' energy: -121.481
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -71.296
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: 3
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -947.891303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.891303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.891303 (E_RNA)
where:
Base-Base interactions energy: -533.410
where: short stacking energy: -265.997
Base-Backbone interact. energy: 0.244
local terms energy: -414.725742
where:
bonds (distance) C4'-P energy: -99.089
bonds (distance) P-C4' energy: -115.507
flat angles C4'-P-C4' energy: -104.060
flat angles P-C4'-P energy: -62.563
tors. eta vs tors. theta energy: -33.507
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: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -845.641801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.641801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.641801 (E_RNA)
where:
Base-Base interactions energy: -467.563
where: short stacking energy: -245.907
Base-Backbone interact. energy: 6.621
local terms energy: -384.699287
where:
bonds (distance) C4'-P energy: -103.897
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -94.033
flat angles P-C4'-P energy: -57.012
tors. eta vs tors. theta energy: -30.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -604.644533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.644533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.644533 (E_RNA)
where:
Base-Base interactions energy: -264.510
where: short stacking energy: -185.640
Base-Backbone interact. energy: -4.438
local terms energy: -335.696514
where:
bonds (distance) C4'-P energy: -97.412
bonds (distance) P-C4' energy: -96.792
flat angles C4'-P-C4' energy: -84.841
flat angles P-C4'-P energy: -53.284
tors. eta vs tors. theta energy: -3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2062.015709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.015709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.015709 (E_RNA)
where:
Base-Base interactions energy: -1407.976
where: short stacking energy: -601.343
Base-Backbone interact. energy: -2.340
local terms energy: -651.700076
where:
bonds (distance) C4'-P energy: -116.575
bonds (distance) P-C4' energy: -130.829
flat angles C4'-P-C4' energy: -142.997
flat angles P-C4'-P energy: -91.960
tors. eta vs tors. theta energy: -169.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1906.328107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.328107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.328107 (E_RNA)
where:
Base-Base interactions energy: -1280.323
where: short stacking energy: -569.904
Base-Backbone interact. energy: -3.159
local terms energy: -622.846666
where:
bonds (distance) C4'-P energy: -125.766
bonds (distance) P-C4' energy: -118.209
flat angles C4'-P-C4' energy: -129.998
flat angles P-C4'-P energy: -88.066
tors. eta vs tors. theta energy: -160.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1772.859803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.859803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.859803 (E_RNA)
where:
Base-Base interactions energy: -1196.209
where: short stacking energy: -539.649
Base-Backbone interact. energy: 1.156
local terms energy: -577.806798
where:
bonds (distance) C4'-P energy: -113.929
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -139.984
flat angles P-C4'-P energy: -88.976
tors. eta vs tors. theta energy: -125.508
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: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1810.167029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.167029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.167029 (E_RNA)
where:
Base-Base interactions energy: -1210.057
where: short stacking energy: -517.702
Base-Backbone interact. energy: -2.056
local terms energy: -598.054224
where:
bonds (distance) C4'-P energy: -113.601
bonds (distance) P-C4' energy: -125.795
flat angles C4'-P-C4' energy: -127.548
flat angles P-C4'-P energy: -75.241
tors. eta vs tors. theta energy: -155.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1657.803629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.803629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.803629 (E_RNA)
where:
Base-Base interactions energy: -1106.665
where: short stacking energy: -474.479
Base-Backbone interact. energy: -2.665
local terms energy: -548.473970
where:
bonds (distance) C4'-P energy: -118.787
bonds (distance) P-C4' energy: -114.995
flat angles C4'-P-C4' energy: -116.282
flat angles P-C4'-P energy: -68.026
tors. eta vs tors. theta energy: -130.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1324.920444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.920444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.920444 (E_RNA)
where:
Base-Base interactions energy: -834.888
where: short stacking energy: -366.942
Base-Backbone interact. energy: 0.756
local terms energy: -490.788666
where:
bonds (distance) C4'-P energy: -100.568
bonds (distance) P-C4' energy: -131.442
flat angles C4'-P-C4' energy: -107.924
flat angles P-C4'-P energy: -77.141
tors. eta vs tors. theta energy: -73.713
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: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1142.798961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.798961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.798961 (E_RNA)
where:
Base-Base interactions energy: -702.352
where: short stacking energy: -361.253
Base-Backbone interact. energy: -1.563
local terms energy: -438.884110
where:
bonds (distance) C4'-P energy: -95.710
bonds (distance) P-C4' energy: -112.563
flat angles C4'-P-C4' energy: -89.716
flat angles P-C4'-P energy: -72.430
tors. eta vs tors. theta energy: -68.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -948.601911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.601911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.601911 (E_RNA)
where:
Base-Base interactions energy: -559.658
where: short stacking energy: -291.569
Base-Backbone interact. energy: -1.451
local terms energy: -387.493209
where:
bonds (distance) C4'-P energy: -80.943
bonds (distance) P-C4' energy: -91.431
flat angles C4'-P-C4' energy: -119.867
flat angles P-C4'-P energy: -60.172
tors. eta vs tors. theta energy: -35.080
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: 9, replica: 5
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -777.811346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.811346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.811346 (E_RNA)
where:
Base-Base interactions energy: -438.154
where: short stacking energy: -222.740
Base-Backbone interact. energy: -1.043
local terms energy: -338.614205
where:
bonds (distance) C4'-P energy: -79.205
bonds (distance) P-C4' energy: -92.276
flat angles C4'-P-C4' energy: -90.075
flat angles P-C4'-P energy: -63.464
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -693.093196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.093196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.093196 (E_RNA)
where:
Base-Base interactions energy: -389.706
where: short stacking energy: -159.164
Base-Backbone interact. energy: -0.435
local terms energy: -302.951721
where:
bonds (distance) C4'-P energy: -92.820
bonds (distance) P-C4' energy: -109.291
flat angles C4'-P-C4' energy: -88.336
flat angles P-C4'-P energy: -29.379
tors. eta vs tors. theta energy: 16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2060.440940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.440940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.440940 (E_RNA)
where:
Base-Base interactions energy: -1412.044
where: short stacking energy: -596.958
Base-Backbone interact. energy: -3.472
local terms energy: -644.924872
where:
bonds (distance) C4'-P energy: -122.083
bonds (distance) P-C4' energy: -126.981
flat angles C4'-P-C4' energy: -137.522
flat angles P-C4'-P energy: -92.863
tors. eta vs tors. theta energy: -165.475
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: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1903.666310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.666310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.666310 (E_RNA)
where:
Base-Base interactions energy: -1278.839
where: short stacking energy: -554.301
Base-Backbone interact. energy: 4.785
local terms energy: -629.612920
where:
bonds (distance) C4'-P energy: -123.016
bonds (distance) P-C4' energy: -125.389
flat angles C4'-P-C4' energy: -137.263
flat angles P-C4'-P energy: -86.853
tors. eta vs tors. theta energy: -157.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1826.170027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.170027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.170027 (E_RNA)
where:
Base-Base interactions energy: -1205.018
where: short stacking energy: -543.597
Base-Backbone interact. energy: -1.900
local terms energy: -619.251563
where:
bonds (distance) C4'-P energy: -135.586
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -131.039
flat angles P-C4'-P energy: -87.229
tors. eta vs tors. theta energy: -149.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1726.088194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.088194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.088194 (E_RNA)
where:
Base-Base interactions energy: -1156.285
where: short stacking energy: -491.940
Base-Backbone interact. energy: -0.851
local terms energy: -568.952986
where:
bonds (distance) C4'-P energy: -93.405
bonds (distance) P-C4' energy: -121.118
flat angles C4'-P-C4' energy: -133.070
flat angles P-C4'-P energy: -85.777
tors. eta vs tors. theta energy: -135.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1688.699370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.699370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.699370 (E_RNA)
where:
Base-Base interactions energy: -1154.993
where: short stacking energy: -505.733
Base-Backbone interact. energy: -4.229
local terms energy: -529.477226
where:
bonds (distance) C4'-P energy: -94.453
bonds (distance) P-C4' energy: -109.866
flat angles C4'-P-C4' energy: -111.278
flat angles P-C4'-P energy: -90.148
tors. eta vs tors. theta energy: -123.732
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: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1316.708591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.708591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.708591 (E_RNA)
where:
Base-Base interactions energy: -845.572
where: short stacking energy: -390.656
Base-Backbone interact. energy: 0.066
local terms energy: -471.202906
where:
bonds (distance) C4'-P energy: -90.412
bonds (distance) P-C4' energy: -115.870
flat angles C4'-P-C4' energy: -126.658
flat angles P-C4'-P energy: -55.586
tors. eta vs tors. theta energy: -82.676
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: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1136.172687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.172687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.172687 (E_RNA)
where:
Base-Base interactions energy: -649.083
where: short stacking energy: -320.218
Base-Backbone interact. energy: 1.489
local terms energy: -488.578846
where:
bonds (distance) C4'-P energy: -117.043
bonds (distance) P-C4' energy: -129.253
flat angles C4'-P-C4' energy: -108.839
flat angles P-C4'-P energy: -82.337
tors. eta vs tors. theta energy: -51.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -959.374679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.374679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.374679 (E_RNA)
where:
Base-Base interactions energy: -550.131
where: short stacking energy: -299.462
Base-Backbone interact. energy: -2.061
local terms energy: -407.183259
where:
bonds (distance) C4'-P energy: -94.245
bonds (distance) P-C4' energy: -105.675
flat angles C4'-P-C4' energy: -98.528
flat angles P-C4'-P energy: -63.285
tors. eta vs tors. theta energy: -45.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -770.875275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.875275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.875275 (E_RNA)
where:
Base-Base interactions energy: -389.107
where: short stacking energy: -213.752
Base-Backbone interact. energy: -2.499
local terms energy: -379.269438
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -113.680
flat angles C4'-P-C4' energy: -102.517
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: -13.175
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: 5
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -751.863372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.863372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.863372 (E_RNA)
where:
Base-Base interactions energy: -433.249
where: short stacking energy: -196.076
Base-Backbone interact. energy: -2.299
local terms energy: -316.315923
where:
bonds (distance) C4'-P energy: -99.082
bonds (distance) P-C4' energy: -87.323
flat angles C4'-P-C4' energy: -75.008
flat angles P-C4'-P energy: -53.259
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2059.679526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.679526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.679526 (E_RNA)
where:
Base-Base interactions energy: -1418.353
where: short stacking energy: -585.513
Base-Backbone interact. energy: -2.201
local terms energy: -639.125998
where:
bonds (distance) C4'-P energy: -110.647
bonds (distance) P-C4' energy: -114.721
flat angles C4'-P-C4' energy: -147.147
flat angles P-C4'-P energy: -97.369
tors. eta vs tors. theta energy: -169.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1911.877193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.877193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.877193 (E_RNA)
where:
Base-Base interactions energy: -1264.987
where: short stacking energy: -550.663
Base-Backbone interact. energy: -3.301
local terms energy: -643.588372
where:
bonds (distance) C4'-P energy: -143.653
bonds (distance) P-C4' energy: -111.468
flat angles C4'-P-C4' energy: -139.151
flat angles P-C4'-P energy: -98.788
tors. eta vs tors. theta energy: -150.528
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: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1873.158299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.158299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.158299 (E_RNA)
where:
Base-Base interactions energy: -1272.270
where: short stacking energy: -550.634
Base-Backbone interact. energy: 0.989
local terms energy: -601.876606
where:
bonds (distance) C4'-P energy: -95.911
bonds (distance) P-C4' energy: -126.908
flat angles C4'-P-C4' energy: -142.727
flat angles P-C4'-P energy: -80.210
tors. eta vs tors. theta energy: -156.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1780.666862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.666862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.666862 (E_RNA)
where:
Base-Base interactions energy: -1210.454
where: short stacking energy: -527.913
Base-Backbone interact. energy: -5.805
local terms energy: -564.408659
where:
bonds (distance) C4'-P energy: -103.103
bonds (distance) P-C4' energy: -107.209
flat angles C4'-P-C4' energy: -134.359
flat angles P-C4'-P energy: -78.979
tors. eta vs tors. theta energy: -140.758
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: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1677.004223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.004223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.004223 (E_RNA)
where:
Base-Base interactions energy: -1134.991
where: short stacking energy: -503.307
Base-Backbone interact. energy: -1.922
local terms energy: -540.091179
where:
bonds (distance) C4'-P energy: -102.845
bonds (distance) P-C4' energy: -109.514
flat angles C4'-P-C4' energy: -112.334
flat angles P-C4'-P energy: -86.064
tors. eta vs tors. theta energy: -129.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1272.029809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.029809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.029809 (E_RNA)
where:
Base-Base interactions energy: -798.709
where: short stacking energy: -347.752
Base-Backbone interact. energy: -1.653
local terms energy: -471.667008
where:
bonds (distance) C4'-P energy: -103.337
bonds (distance) P-C4' energy: -108.797
flat angles C4'-P-C4' energy: -107.510
flat angles P-C4'-P energy: -66.595
tors. eta vs tors. theta energy: -85.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1245.171292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.171292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.171292 (E_RNA)
where:
Base-Base interactions energy: -780.374
where: short stacking energy: -387.419
Base-Backbone interact. energy: -0.203
local terms energy: -464.593884
where:
bonds (distance) C4'-P energy: -100.726
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -102.455
flat angles P-C4'-P energy: -76.400
tors. eta vs tors. theta energy: -87.569
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: 8, replica: 3
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -972.280159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.280159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.280159 (E_RNA)
where:
Base-Base interactions energy: -545.164
where: short stacking energy: -267.468
Base-Backbone interact. energy: -1.288
local terms energy: -425.828340
where:
bonds (distance) C4'-P energy: -96.260
bonds (distance) P-C4' energy: -125.014
flat angles C4'-P-C4' energy: -96.323
flat angles P-C4'-P energy: -67.428
tors. eta vs tors. theta energy: -40.803
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: 9, replica: 2
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -853.052755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.052755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.052755 (E_RNA)
where:
Base-Base interactions energy: -471.488
where: short stacking energy: -268.050
Base-Backbone interact. energy: 1.034
local terms energy: -382.598425
where:
bonds (distance) C4'-P energy: -83.584
bonds (distance) P-C4' energy: -117.041
flat angles C4'-P-C4' energy: -97.046
flat angles P-C4'-P energy: -48.769
tors. eta vs tors. theta energy: -36.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -790.153253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.153253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.153253 (E_RNA)
where:
Base-Base interactions energy: -439.308
where: short stacking energy: -218.743
Base-Backbone interact. energy: 6.151
local terms energy: -356.995757
where:
bonds (distance) C4'-P energy: -82.217
bonds (distance) P-C4' energy: -104.791
flat angles C4'-P-C4' energy: -81.638
flat angles P-C4'-P energy: -71.916
tors. eta vs tors. theta energy: -16.433
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: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2101.689857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.689857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.689857 (E_RNA)
where:
Base-Base interactions energy: -1443.661
where: short stacking energy: -601.665
Base-Backbone interact. energy: -3.449
local terms energy: -654.579665
where:
bonds (distance) C4'-P energy: -115.998
bonds (distance) P-C4' energy: -124.977
flat angles C4'-P-C4' energy: -139.262
flat angles P-C4'-P energy: -109.740
tors. eta vs tors. theta energy: -164.603
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: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1949.098012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.098012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.098012 (E_RNA)
where:
Base-Base interactions energy: -1324.675
where: short stacking energy: -578.301
Base-Backbone interact. energy: -3.080
local terms energy: -621.343733
where:
bonds (distance) C4'-P energy: -116.977
bonds (distance) P-C4' energy: -116.987
flat angles C4'-P-C4' energy: -139.020
flat angles P-C4'-P energy: -84.039
tors. eta vs tors. theta energy: -164.321
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: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1824.939496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.939496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.939496 (E_RNA)
where:
Base-Base interactions energy: -1205.462
where: short stacking energy: -534.021
Base-Backbone interact. energy: 7.701
local terms energy: -627.178898
where:
bonds (distance) C4'-P energy: -124.775
bonds (distance) P-C4' energy: -134.077
flat angles C4'-P-C4' energy: -131.967
flat angles P-C4'-P energy: -87.950
tors. eta vs tors. theta energy: -148.410
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: 10
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1723.349326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.349326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.349326 (E_RNA)
where:
Base-Base interactions energy: -1157.864
where: short stacking energy: -482.552
Base-Backbone interact. energy: -1.223
local terms energy: -564.262791
where:
bonds (distance) C4'-P energy: -110.124
bonds (distance) P-C4' energy: -124.695
flat angles C4'-P-C4' energy: -134.216
flat angles P-C4'-P energy: -69.538
tors. eta vs tors. theta energy: -125.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1724.232930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.232930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.232930 (E_RNA)
where:
Base-Base interactions energy: -1155.833
where: short stacking energy: -497.664
Base-Backbone interact. energy: -2.278
local terms energy: -566.121855
where:
bonds (distance) C4'-P energy: -100.767
bonds (distance) P-C4' energy: -128.907
flat angles C4'-P-C4' energy: -132.372
flat angles P-C4'-P energy: -73.648
tors. eta vs tors. theta energy: -130.428
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: 6
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1332.123981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.123981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.123981 (E_RNA)
where:
Base-Base interactions energy: -838.050
where: short stacking energy: -359.017
Base-Backbone interact. energy: 1.379
local terms energy: -495.452727
where:
bonds (distance) C4'-P energy: -113.477
bonds (distance) P-C4' energy: -115.144
flat angles C4'-P-C4' energy: -129.823
flat angles P-C4'-P energy: -63.342
tors. eta vs tors. theta energy: -73.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1203.882855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.882855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.882855 (E_RNA)
where:
Base-Base interactions energy: -734.967
where: short stacking energy: -351.782
Base-Backbone interact. energy: 5.061
local terms energy: -473.977065
where:
bonds (distance) C4'-P energy: -93.553
bonds (distance) P-C4' energy: -114.141
flat angles C4'-P-C4' energy: -121.817
flat angles P-C4'-P energy: -70.185
tors. eta vs tors. theta energy: -74.280
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: 3
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -935.622960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.622960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.622960 (E_RNA)
where:
Base-Base interactions energy: -532.450
where: short stacking energy: -298.683
Base-Backbone interact. energy: 3.907
local terms energy: -407.080645
where:
bonds (distance) C4'-P energy: -104.301
bonds (distance) P-C4' energy: -93.192
flat angles C4'-P-C4' energy: -99.435
flat angles P-C4'-P energy: -74.215
tors. eta vs tors. theta energy: -35.938
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: 2
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -867.532433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.532433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.532433 (E_RNA)
where:
Base-Base interactions energy: -492.509
where: short stacking energy: -268.317
Base-Backbone interact. energy: -1.643
local terms energy: -373.381120
where:
bonds (distance) C4'-P energy: -94.376
bonds (distance) P-C4' energy: -109.442
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -32.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -802.139555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.139555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.139555 (E_RNA)
where:
Base-Base interactions energy: -441.117
where: short stacking energy: -213.624
Base-Backbone interact. energy: -0.193
local terms energy: -360.829749
where:
bonds (distance) C4'-P energy: -113.402
bonds (distance) P-C4' energy: -95.228
flat angles C4'-P-C4' energy: -90.517
flat angles P-C4'-P energy: -41.275
tors. eta vs tors. theta energy: -20.408
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: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2062.219451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.219451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.219451 (E_RNA)
where:
Base-Base interactions energy: -1421.104
where: short stacking energy: -587.701
Base-Backbone interact. energy: 0.835
local terms energy: -641.951035
where:
bonds (distance) C4'-P energy: -111.250
bonds (distance) P-C4' energy: -124.392
flat angles C4'-P-C4' energy: -140.693
flat angles P-C4'-P energy: -109.846
tors. eta vs tors. theta energy: -155.770
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: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1998.852626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.852626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.852626 (E_RNA)
where:
Base-Base interactions energy: -1353.917
where: short stacking energy: -576.662
Base-Backbone interact. energy: -2.386
local terms energy: -642.549560
where:
bonds (distance) C4'-P energy: -112.016
bonds (distance) P-C4' energy: -129.537
flat angles C4'-P-C4' energy: -137.742
flat angles P-C4'-P energy: -98.076
tors. eta vs tors. theta energy: -165.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1823.259465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.259465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.259465 (E_RNA)
where:
Base-Base interactions energy: -1224.138
where: short stacking energy: -535.847
Base-Backbone interact. energy: -0.188
local terms energy: -598.933234
where:
bonds (distance) C4'-P energy: -129.674
bonds (distance) P-C4' energy: -114.116
flat angles C4'-P-C4' energy: -129.597
flat angles P-C4'-P energy: -84.750
tors. eta vs tors. theta energy: -140.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1798.920678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.920678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.920678 (E_RNA)
where:
Base-Base interactions energy: -1217.708
where: short stacking energy: -542.149
Base-Backbone interact. energy: -2.759
local terms energy: -578.454166
where:
bonds (distance) C4'-P energy: -104.440
bonds (distance) P-C4' energy: -121.534
flat angles C4'-P-C4' energy: -127.984
flat angles P-C4'-P energy: -80.979
tors. eta vs tors. theta energy: -143.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1695.346072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.346072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.346072 (E_RNA)
where:
Base-Base interactions energy: -1150.100
where: short stacking energy: -458.020
Base-Backbone interact. energy: -4.297
local terms energy: -540.949540
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -105.593
flat angles C4'-P-C4' energy: -128.688
flat angles P-C4'-P energy: -76.836
tors. eta vs tors. theta energy: -126.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1254.365640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.365640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.365640 (E_RNA)
where:
Base-Base interactions energy: -805.546
where: short stacking energy: -383.399
Base-Backbone interact. energy: -1.099
local terms energy: -447.720721
where:
bonds (distance) C4'-P energy: -94.889
bonds (distance) P-C4' energy: -106.670
flat angles C4'-P-C4' energy: -100.893
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -77.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1257.187515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.187515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.187515 (E_RNA)
where:
Base-Base interactions energy: -828.006
where: short stacking energy: -372.591
Base-Backbone interact. energy: -1.664
local terms energy: -427.517886
where:
bonds (distance) C4'-P energy: -103.996
bonds (distance) P-C4' energy: -94.008
flat angles C4'-P-C4' energy: -97.409
flat angles P-C4'-P energy: -64.468
tors. eta vs tors. theta energy: -67.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -921.675171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.675171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.675171 (E_RNA)
where:
Base-Base interactions energy: -518.653
where: short stacking energy: -280.610
Base-Backbone interact. energy: -1.664
local terms energy: -401.358153
where:
bonds (distance) C4'-P energy: -106.067
bonds (distance) P-C4' energy: -115.093
flat angles C4'-P-C4' energy: -98.281
flat angles P-C4'-P energy: -50.880
tors. eta vs tors. theta energy: -31.037
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: 3
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -893.251732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.251732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.251732 (E_RNA)
where:
Base-Base interactions energy: -497.216
where: short stacking energy: -254.175
Base-Backbone interact. energy: -2.511
local terms energy: -393.525165
where:
bonds (distance) C4'-P energy: -102.657
bonds (distance) P-C4' energy: -88.481
flat angles C4'-P-C4' energy: -96.220
flat angles P-C4'-P energy: -71.888
tors. eta vs tors. theta energy: -34.279
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: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -736.194535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.194535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.194535 (E_RNA)
where:
Base-Base interactions energy: -405.336
where: short stacking energy: -220.301
Base-Backbone interact. energy: -2.699
local terms energy: -328.159660
where:
bonds (distance) C4'-P energy: -99.377
bonds (distance) P-C4' energy: -82.453
flat angles C4'-P-C4' energy: -86.791
flat angles P-C4'-P energy: -43.299
tors. eta vs tors. theta energy: -16.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2059.705655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.705655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.705655 (E_RNA)
where:
Base-Base interactions energy: -1440.133
where: short stacking energy: -566.131
Base-Backbone interact. energy: -5.667
local terms energy: -613.906176
where:
bonds (distance) C4'-P energy: -113.070
bonds (distance) P-C4' energy: -104.088
flat angles C4'-P-C4' energy: -151.057
flat angles P-C4'-P energy: -96.245
tors. eta vs tors. theta energy: -149.446
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: 1
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1966.443539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.443539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.443539 (E_RNA)
where:
Base-Base interactions energy: -1321.919
where: short stacking energy: -561.676
Base-Backbone interact. energy: -1.006
local terms energy: -643.518613
where:
bonds (distance) C4'-P energy: -108.509
bonds (distance) P-C4' energy: -118.268
flat angles C4'-P-C4' energy: -151.499
flat angles P-C4'-P energy: -105.704
tors. eta vs tors. theta energy: -159.538
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1879.493427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.493427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.493427 (E_RNA)
where:
Base-Base interactions energy: -1256.360
where: short stacking energy: -572.744
Base-Backbone interact. energy: -0.617
local terms energy: -622.515993
where:
bonds (distance) C4'-P energy: -116.143
bonds (distance) P-C4' energy: -119.840
flat angles C4'-P-C4' energy: -140.150
flat angles P-C4'-P energy: -88.278
tors. eta vs tors. theta energy: -158.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1731.573085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.573085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.573085 (E_RNA)
where:
Base-Base interactions energy: -1162.684
where: short stacking energy: -498.139
Base-Backbone interact. energy: -0.327
local terms energy: -568.561669
where:
bonds (distance) C4'-P energy: -122.093
bonds (distance) P-C4' energy: -119.745
flat angles C4'-P-C4' energy: -128.880
flat angles P-C4'-P energy: -71.712
tors. eta vs tors. theta energy: -126.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1701.694306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.694306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.694306 (E_RNA)
where:
Base-Base interactions energy: -1145.969
where: short stacking energy: -473.769
Base-Backbone interact. energy: -4.090
local terms energy: -551.635351
where:
bonds (distance) C4'-P energy: -105.714
bonds (distance) P-C4' energy: -115.289
flat angles C4'-P-C4' energy: -127.625
flat angles P-C4'-P energy: -75.208
tors. eta vs tors. theta energy: -127.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1235.786224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.786224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.786224 (E_RNA)
where:
Base-Base interactions energy: -776.342
where: short stacking energy: -343.510
Base-Backbone interact. energy: -1.646
local terms energy: -457.798880
where:
bonds (distance) C4'-P energy: -102.234
bonds (distance) P-C4' energy: -102.771
flat angles C4'-P-C4' energy: -112.638
flat angles P-C4'-P energy: -74.956
tors. eta vs tors. theta energy: -65.199
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: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1188.339231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.339231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.339231 (E_RNA)
where:
Base-Base interactions energy: -741.721
where: short stacking energy: -355.143
Base-Backbone interact. energy: 5.455
local terms energy: -452.073673
where:
bonds (distance) C4'-P energy: -113.704
bonds (distance) P-C4' energy: -109.170
flat angles C4'-P-C4' energy: -107.752
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -67.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -921.290396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.290396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.290396 (E_RNA)
where:
Base-Base interactions energy: -531.952
where: short stacking energy: -260.295
Base-Backbone interact. energy: 6.446
local terms energy: -395.785200
where:
bonds (distance) C4'-P energy: -109.490
bonds (distance) P-C4' energy: -114.177
flat angles C4'-P-C4' energy: -92.935
flat angles P-C4'-P energy: -67.569
tors. eta vs tors. theta energy: -11.614
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: 3
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -908.734979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.734979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.734979 (E_RNA)
where:
Base-Base interactions energy: -539.206
where: short stacking energy: -270.736
Base-Backbone interact. energy: 2.571
local terms energy: -372.100062
where:
bonds (distance) C4'-P energy: -103.650
bonds (distance) P-C4' energy: -95.620
flat angles C4'-P-C4' energy: -89.058
flat angles P-C4'-P energy: -57.757
tors. eta vs tors. theta energy: -26.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -781.467758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.467758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.467758 (E_RNA)
where:
Base-Base interactions energy: -413.897
where: short stacking energy: -216.398
Base-Backbone interact. energy: 0.457
local terms energy: -368.027998
where:
bonds (distance) C4'-P energy: -96.516
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -102.811
flat angles P-C4'-P energy: -51.571
tors. eta vs tors. theta energy: -8.706
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: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2067.138536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.138536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.138536 (E_RNA)
where:
Base-Base interactions energy: -1417.127
where: short stacking energy: -595.348
Base-Backbone interact. energy: 2.496
local terms energy: -652.507926
where:
bonds (distance) C4'-P energy: -120.024
bonds (distance) P-C4' energy: -125.025
flat angles C4'-P-C4' energy: -139.053
flat angles P-C4'-P energy: -104.341
tors. eta vs tors. theta energy: -164.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1944.168913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.168913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.168913 (E_RNA)
where:
Base-Base interactions energy: -1337.082
where: short stacking energy: -560.439
Base-Backbone interact. energy: -1.553
local terms energy: -605.534806
where:
bonds (distance) C4'-P energy: -116.945
bonds (distance) P-C4' energy: -118.611
flat angles C4'-P-C4' energy: -121.471
flat angles P-C4'-P energy: -89.331
tors. eta vs tors. theta energy: -159.176
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1848.899947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.899947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.899947 (E_RNA)
where:
Base-Base interactions energy: -1228.582
where: short stacking energy: -547.462
Base-Backbone interact. energy: -2.106
local terms energy: -618.212472
where:
bonds (distance) C4'-P energy: -109.554
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -137.237
flat angles P-C4'-P energy: -91.306
tors. eta vs tors. theta energy: -152.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1733.054944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.054944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.054944 (E_RNA)
where:
Base-Base interactions energy: -1168.866
where: short stacking energy: -533.602
Base-Backbone interact. energy: -1.623
local terms energy: -562.565492
where:
bonds (distance) C4'-P energy: -115.022
bonds (distance) P-C4' energy: -108.408
flat angles C4'-P-C4' energy: -122.956
flat angles P-C4'-P energy: -77.736
tors. eta vs tors. theta energy: -138.443
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: 83
Temperature: 1.100000
Total energy: -1663.925960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.925960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.925960 (E_RNA)
where:
Base-Base interactions energy: -1098.725
where: short stacking energy: -475.773
Base-Backbone interact. energy: -3.397
local terms energy: -561.804133
where:
bonds (distance) C4'-P energy: -121.306
bonds (distance) P-C4' energy: -109.756
flat angles C4'-P-C4' energy: -114.998
flat angles P-C4'-P energy: -83.510
tors. eta vs tors. theta energy: -132.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1330.510897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.510897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.510897 (E_RNA)
where:
Base-Base interactions energy: -834.662
where: short stacking energy: -405.741
Base-Backbone interact. energy: -1.869
local terms energy: -493.980406
where:
bonds (distance) C4'-P energy: -110.504
bonds (distance) P-C4' energy: -114.332
flat angles C4'-P-C4' energy: -95.200
flat angles P-C4'-P energy: -80.606
tors. eta vs tors. theta energy: -93.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1184.697328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.697328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.697328 (E_RNA)
where:
Base-Base interactions energy: -720.579
where: short stacking energy: -345.346
Base-Backbone interact. energy: -1.482
local terms energy: -462.636716
where:
bonds (distance) C4'-P energy: -117.394
bonds (distance) P-C4' energy: -109.331
flat angles C4'-P-C4' energy: -114.152
flat angles P-C4'-P energy: -62.646
tors. eta vs tors. theta energy: -59.114
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: 8, replica: 2
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -917.401708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.401708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.401708 (E_RNA)
where:
Base-Base interactions energy: -511.302
where: short stacking energy: -281.797
Base-Backbone interact. energy: -0.943
local terms energy: -405.157098
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -118.983
flat angles C4'-P-C4' energy: -107.852
flat angles P-C4'-P energy: -53.076
tors. eta vs tors. theta energy: -25.700
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: 3
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -901.911950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.911950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.911950 (E_RNA)
where:
Base-Base interactions energy: -497.231
where: short stacking energy: -258.916
Base-Backbone interact. energy: 1.251
local terms energy: -405.931555
where:
bonds (distance) C4'-P energy: -118.682
bonds (distance) P-C4' energy: -110.094
flat angles C4'-P-C4' energy: -88.051
flat angles P-C4'-P energy: -58.219
tors. eta vs tors. theta energy: -30.885
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: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -712.418168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.418168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.418168 (E_RNA)
where:
Base-Base interactions energy: -331.095
where: short stacking energy: -170.588
Base-Backbone interact. energy: -2.697
local terms energy: -378.625759
where:
bonds (distance) C4'-P energy: -119.625
bonds (distance) P-C4' energy: -113.777
flat angles C4'-P-C4' energy: -93.327
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -0.932
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: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2073.925726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.925726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.925726 (E_RNA)
where:
Base-Base interactions energy: -1430.476
where: short stacking energy: -583.632
Base-Backbone interact. energy: -5.309
local terms energy: -638.141077
where:
bonds (distance) C4'-P energy: -122.139
bonds (distance) P-C4' energy: -123.913
flat angles C4'-P-C4' energy: -138.776
flat angles P-C4'-P energy: -91.677
tors. eta vs tors. theta energy: -161.635
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: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1977.466057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.466057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.466057 (E_RNA)
where:
Base-Base interactions energy: -1346.413
where: short stacking energy: -575.079
Base-Backbone interact. energy: -0.709
local terms energy: -630.343274
where:
bonds (distance) C4'-P energy: -107.637
bonds (distance) P-C4' energy: -123.683
flat angles C4'-P-C4' energy: -141.226
flat angles P-C4'-P energy: -95.033
tors. eta vs tors. theta energy: -162.765
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: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1827.600673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.600673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.600673 (E_RNA)
where:
Base-Base interactions energy: -1239.856
where: short stacking energy: -538.505
Base-Backbone interact. energy: -2.206
local terms energy: -585.538936
where:
bonds (distance) C4'-P energy: -112.320
bonds (distance) P-C4' energy: -108.565
flat angles C4'-P-C4' energy: -141.867
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -141.011
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: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1737.278032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.278032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.278032 (E_RNA)
where:
Base-Base interactions energy: -1183.200
where: short stacking energy: -507.589
Base-Backbone interact. energy: -3.458
local terms energy: -550.620533
where:
bonds (distance) C4'-P energy: -103.267
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -127.977
flat angles P-C4'-P energy: -71.127
tors. eta vs tors. theta energy: -138.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1665.628444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.628444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.628444 (E_RNA)
where:
Base-Base interactions energy: -1119.452
where: short stacking energy: -465.185
Base-Backbone interact. energy: 1.949
local terms energy: -548.125001
where:
bonds (distance) C4'-P energy: -115.368
bonds (distance) P-C4' energy: -103.953
flat angles C4'-P-C4' energy: -126.946
flat angles P-C4'-P energy: -79.459
tors. eta vs tors. theta energy: -122.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1297.152625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.152625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.152625 (E_RNA)
where:
Base-Base interactions energy: -822.921
where: short stacking energy: -388.009
Base-Backbone interact. energy: -0.453
local terms energy: -473.778161
where:
bonds (distance) C4'-P energy: -105.213
bonds (distance) P-C4' energy: -105.455
flat angles C4'-P-C4' energy: -122.056
flat angles P-C4'-P energy: -55.540
tors. eta vs tors. theta energy: -85.515
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: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1177.364210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.364210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.364210 (E_RNA)
where:
Base-Base interactions energy: -735.804
where: short stacking energy: -334.886
Base-Backbone interact. energy: 1.862
local terms energy: -443.421723
where:
bonds (distance) C4'-P energy: -99.578
bonds (distance) P-C4' energy: -108.935
flat angles C4'-P-C4' energy: -103.176
flat angles P-C4'-P energy: -64.235
tors. eta vs tors. theta energy: -67.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -963.616030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.616030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.616030 (E_RNA)
where:
Base-Base interactions energy: -562.942
where: short stacking energy: -292.109
Base-Backbone interact. energy: -2.197
local terms energy: -398.477717
where:
bonds (distance) C4'-P energy: -87.108
bonds (distance) P-C4' energy: -94.169
flat angles C4'-P-C4' energy: -115.376
flat angles P-C4'-P energy: -68.165
tors. eta vs tors. theta energy: -33.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -944.411633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.411633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.411633 (E_RNA)
where:
Base-Base interactions energy: -573.991
where: short stacking energy: -302.300
Base-Backbone interact. energy: -1.786
local terms energy: -368.634446
where:
bonds (distance) C4'-P energy: -99.164
bonds (distance) P-C4' energy: -75.997
flat angles C4'-P-C4' energy: -90.992
flat angles P-C4'-P energy: -61.135
tors. eta vs tors. theta energy: -41.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -805.836714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.836714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.836714 (E_RNA)
where:
Base-Base interactions energy: -464.081
where: short stacking energy: -230.120
Base-Backbone interact. energy: 2.068
local terms energy: -343.824367
where:
bonds (distance) C4'-P energy: -97.429
bonds (distance) P-C4' energy: -91.931
flat angles C4'-P-C4' energy: -74.640
flat angles P-C4'-P energy: -55.329
tors. eta vs tors. theta energy: -24.496
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: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2084.191342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.191342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.191342 (E_RNA)
where:
Base-Base interactions energy: -1464.902
where: short stacking energy: -585.019
Base-Backbone interact. energy: -0.926
local terms energy: -618.362874
where:
bonds (distance) C4'-P energy: -128.122
bonds (distance) P-C4' energy: -113.403
flat angles C4'-P-C4' energy: -130.626
flat angles P-C4'-P energy: -86.299
tors. eta vs tors. theta energy: -159.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1982.295840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.295840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.295840 (E_RNA)
where:
Base-Base interactions energy: -1350.427
where: short stacking energy: -549.534
Base-Backbone interact. energy: -2.509
local terms energy: -629.359876
where:
bonds (distance) C4'-P energy: -117.712
bonds (distance) P-C4' energy: -129.335
flat angles C4'-P-C4' energy: -130.073
flat angles P-C4'-P energy: -93.324
tors. eta vs tors. theta energy: -158.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1847.574621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.574621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.574621 (E_RNA)
where:
Base-Base interactions energy: -1244.395
where: short stacking energy: -551.425
Base-Backbone interact. energy: -0.823
local terms energy: -602.357109
where:
bonds (distance) C4'-P energy: -125.017
bonds (distance) P-C4' energy: -123.164
flat angles C4'-P-C4' energy: -124.152
flat angles P-C4'-P energy: -85.136
tors. eta vs tors. theta energy: -144.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1725.370613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.370613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.370613 (E_RNA)
where:
Base-Base interactions energy: -1162.529
where: short stacking energy: -495.297
Base-Backbone interact. energy: -3.013
local terms energy: -559.828015
where:
bonds (distance) C4'-P energy: -108.758
bonds (distance) P-C4' energy: -116.601
flat angles C4'-P-C4' energy: -121.422
flat angles P-C4'-P energy: -79.840
tors. eta vs tors. theta energy: -133.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1682.978310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.978310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.978310 (E_RNA)
where:
Base-Base interactions energy: -1133.410
where: short stacking energy: -485.042
Base-Backbone interact. energy: 4.977
local terms energy: -554.545168
where:
bonds (distance) C4'-P energy: -97.674
bonds (distance) P-C4' energy: -119.013
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -75.173
tors. eta vs tors. theta energy: -137.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1363.768211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.768211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.768211 (E_RNA)
where:
Base-Base interactions energy: -866.186
where: short stacking energy: -422.536
Base-Backbone interact. energy: -3.406
local terms energy: -494.175898
where:
bonds (distance) C4'-P energy: -107.854
bonds (distance) P-C4' energy: -96.538
flat angles C4'-P-C4' energy: -122.318
flat angles P-C4'-P energy: -70.049
tors. eta vs tors. theta energy: -97.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1185.453505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.453505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.453505 (E_RNA)
where:
Base-Base interactions energy: -704.086
where: short stacking energy: -321.013
Base-Backbone interact. energy: -2.705
local terms energy: -478.662474
where:
bonds (distance) C4'-P energy: -93.634
bonds (distance) P-C4' energy: -120.398
flat angles C4'-P-C4' energy: -126.971
flat angles P-C4'-P energy: -58.211
tors. eta vs tors. theta energy: -79.448
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: 2
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1078.473655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.473655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.473655 (E_RNA)
where:
Base-Base interactions energy: -650.051
where: short stacking energy: -316.427
Base-Backbone interact. energy: 4.684
local terms energy: -433.106261
where:
bonds (distance) C4'-P energy: -95.505
bonds (distance) P-C4' energy: -106.195
flat angles C4'-P-C4' energy: -115.098
flat angles P-C4'-P energy: -75.589
tors. eta vs tors. theta energy: -40.719
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: 3
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -933.525046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.525046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.525046 (E_RNA)
where:
Base-Base interactions energy: -547.685
where: short stacking energy: -278.584
Base-Backbone interact. energy: 0.625
local terms energy: -386.465176
where:
bonds (distance) C4'-P energy: -96.105
bonds (distance) P-C4' energy: -106.596
flat angles C4'-P-C4' energy: -83.501
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: -31.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -776.072506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.072506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.072506 (E_RNA)
where:
Base-Base interactions energy: -411.809
where: short stacking energy: -208.955
Base-Backbone interact. energy: 5.029
local terms energy: -369.292582
where:
bonds (distance) C4'-P energy: -96.572
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -91.301
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2087.120064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.120064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.120064 (E_RNA)
where:
Base-Base interactions energy: -1441.739
where: short stacking energy: -599.836
Base-Backbone interact. energy: -1.588
local terms energy: -643.793456
where:
bonds (distance) C4'-P energy: -111.015
bonds (distance) P-C4' energy: -129.691
flat angles C4'-P-C4' energy: -145.522
flat angles P-C4'-P energy: -90.236
tors. eta vs tors. theta energy: -167.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1980.835604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.835604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.835604 (E_RNA)
where:
Base-Base interactions energy: -1338.532
where: short stacking energy: -566.541
Base-Backbone interact. energy: -2.959
local terms energy: -639.344046
where:
bonds (distance) C4'-P energy: -127.219
bonds (distance) P-C4' energy: -112.147
flat angles C4'-P-C4' energy: -139.804
flat angles P-C4'-P energy: -92.659
tors. eta vs tors. theta energy: -167.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1846.224945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.224945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.224945 (E_RNA)
where:
Base-Base interactions energy: -1277.170
where: short stacking energy: -533.105
Base-Backbone interact. energy: 0.373
local terms energy: -569.427676
where:
bonds (distance) C4'-P energy: -113.268
bonds (distance) P-C4' energy: -109.833
flat angles C4'-P-C4' energy: -129.153
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: -146.813
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: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1681.287050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.287050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.287050 (E_RNA)
where:
Base-Base interactions energy: -1115.624
where: short stacking energy: -484.296
Base-Backbone interact. energy: -3.299
local terms energy: -562.364147
where:
bonds (distance) C4'-P energy: -115.526
bonds (distance) P-C4' energy: -111.030
flat angles C4'-P-C4' energy: -123.541
flat angles P-C4'-P energy: -82.353
tors. eta vs tors. theta energy: -129.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1740.709388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.709388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.709388 (E_RNA)
where:
Base-Base interactions energy: -1170.918
where: short stacking energy: -514.137
Base-Backbone interact. energy: 0.271
local terms energy: -570.061739
where:
bonds (distance) C4'-P energy: -107.651
bonds (distance) P-C4' energy: -119.535
flat angles C4'-P-C4' energy: -124.099
flat angles P-C4'-P energy: -87.203
tors. eta vs tors. theta energy: -131.573
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: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1414.306041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.306041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.306041 (E_RNA)
where:
Base-Base interactions energy: -896.467
where: short stacking energy: -454.526
Base-Backbone interact. energy: -1.477
local terms energy: -516.362853
where:
bonds (distance) C4'-P energy: -107.537
bonds (distance) P-C4' energy: -110.970
flat angles C4'-P-C4' energy: -116.759
flat angles P-C4'-P energy: -73.017
tors. eta vs tors. theta energy: -108.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1133.564115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.564115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.564115 (E_RNA)
where:
Base-Base interactions energy: -674.562
where: short stacking energy: -322.876
Base-Backbone interact. energy: -3.001
local terms energy: -456.001178
where:
bonds (distance) C4'-P energy: -107.947
bonds (distance) P-C4' energy: -101.333
flat angles C4'-P-C4' energy: -116.341
flat angles P-C4'-P energy: -70.440
tors. eta vs tors. theta energy: -59.941
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: 8, replica: 2
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1052.867294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.867294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.867294 (E_RNA)
where:
Base-Base interactions energy: -632.390
where: short stacking energy: -291.009
Base-Backbone interact. energy: -1.430
local terms energy: -419.047116
where:
bonds (distance) C4'-P energy: -115.613
bonds (distance) P-C4' energy: -108.911
flat angles C4'-P-C4' energy: -101.975
flat angles P-C4'-P energy: -64.328
tors. eta vs tors. theta energy: -28.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -947.907912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.907912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.907912 (E_RNA)
where:
Base-Base interactions energy: -565.804
where: short stacking energy: -283.883
Base-Backbone interact. energy: -1.982
local terms energy: -380.121705
where:
bonds (distance) C4'-P energy: -87.312
bonds (distance) P-C4' energy: -88.820
flat angles C4'-P-C4' energy: -106.284
flat angles P-C4'-P energy: -65.343
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -778.454889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.454889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.454889 (E_RNA)
where:
Base-Base interactions energy: -413.163
where: short stacking energy: -195.395
Base-Backbone interact. energy: 0.679
local terms energy: -365.970403
where:
bonds (distance) C4'-P energy: -89.008
bonds (distance) P-C4' energy: -107.129
flat angles C4'-P-C4' energy: -94.168
flat angles P-C4'-P energy: -75.356
tors. eta vs tors. theta energy: -0.310
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: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2072.755880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.755880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.755880 (E_RNA)
where:
Base-Base interactions energy: -1390.860
where: short stacking energy: -574.376
Base-Backbone interact. energy: -0.820
local terms energy: -681.075420
where:
bonds (distance) C4'-P energy: -138.485
bonds (distance) P-C4' energy: -136.670
flat angles C4'-P-C4' energy: -141.342
flat angles P-C4'-P energy: -102.240
tors. eta vs tors. theta energy: -162.338
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: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1951.996630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.996630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.996630 (E_RNA)
where:
Base-Base interactions energy: -1330.245
where: short stacking energy: -584.504
Base-Backbone interact. energy: -0.460
local terms energy: -621.291484
where:
bonds (distance) C4'-P energy: -110.901
bonds (distance) P-C4' energy: -116.411
flat angles C4'-P-C4' energy: -135.416
flat angles P-C4'-P energy: -87.399
tors. eta vs tors. theta energy: -171.165
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: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1876.514012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.514012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.514012 (E_RNA)
where:
Base-Base interactions energy: -1265.972
where: short stacking energy: -561.920
Base-Backbone interact. energy: -1.889
local terms energy: -608.653744
where:
bonds (distance) C4'-P energy: -112.641
bonds (distance) P-C4' energy: -130.838
flat angles C4'-P-C4' energy: -122.532
flat angles P-C4'-P energy: -83.243
tors. eta vs tors. theta energy: -159.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1681.109049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.109049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.109049 (E_RNA)
where:
Base-Base interactions energy: -1122.345
where: short stacking energy: -487.928
Base-Backbone interact. energy: -2.668
local terms energy: -556.095143
where:
bonds (distance) C4'-P energy: -104.072
bonds (distance) P-C4' energy: -119.735
flat angles C4'-P-C4' energy: -126.237
flat angles P-C4'-P energy: -80.830
tors. eta vs tors. theta energy: -125.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1718.283307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.283307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.283307 (E_RNA)
where:
Base-Base interactions energy: -1139.916
where: short stacking energy: -493.001
Base-Backbone interact. energy: -0.244
local terms energy: -578.123039
where:
bonds (distance) C4'-P energy: -116.921
bonds (distance) P-C4' energy: -123.561
flat angles C4'-P-C4' energy: -129.191
flat angles P-C4'-P energy: -76.433
tors. eta vs tors. theta energy: -132.018
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: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1352.364862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.364862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.364862 (E_RNA)
where:
Base-Base interactions energy: -837.840
where: short stacking energy: -397.374
Base-Backbone interact. energy: -1.405
local terms energy: -513.120809
where:
bonds (distance) C4'-P energy: -105.975
bonds (distance) P-C4' energy: -130.271
flat angles C4'-P-C4' energy: -116.730
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: -93.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1157.874844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.874844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.874844 (E_RNA)
where:
Base-Base interactions energy: -760.401
where: short stacking energy: -331.890
Base-Backbone interact. energy: -1.886
local terms energy: -395.587350
where:
bonds (distance) C4'-P energy: -95.268
bonds (distance) P-C4' energy: -88.964
flat angles C4'-P-C4' energy: -97.608
flat angles P-C4'-P energy: -56.475
tors. eta vs tors. theta energy: -57.272
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: 8, replica: 3
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1036.914542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.914542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.914542 (E_RNA)
where:
Base-Base interactions energy: -639.909
where: short stacking energy: -313.263
Base-Backbone interact. energy: 1.821
local terms energy: -398.826363
where:
bonds (distance) C4'-P energy: -96.884
bonds (distance) P-C4' energy: -111.540
flat angles C4'-P-C4' energy: -90.249
flat angles P-C4'-P energy: -60.489
tors. eta vs tors. theta energy: -39.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -991.648835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.648835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.648835 (E_RNA)
where:
Base-Base interactions energy: -595.403
where: short stacking energy: -276.692
Base-Backbone interact. energy: -1.439
local terms energy: -394.806725
where:
bonds (distance) C4'-P energy: -92.182
bonds (distance) P-C4' energy: -96.091
flat angles C4'-P-C4' energy: -106.080
flat angles P-C4'-P energy: -58.538
tors. eta vs tors. theta energy: -41.915
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: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -768.794945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.794945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.794945 (E_RNA)
where:
Base-Base interactions energy: -425.748
where: short stacking energy: -226.390
Base-Backbone interact. energy: -1.070
local terms energy: -341.977000
where:
bonds (distance) C4'-P energy: -101.538
bonds (distance) P-C4' energy: -97.628
flat angles C4'-P-C4' energy: -83.490
flat angles P-C4'-P energy: -61.314
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2019.702779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.702779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.702779 (E_RNA)
where:
Base-Base interactions energy: -1372.463
where: short stacking energy: -623.420
Base-Backbone interact. energy: -2.494
local terms energy: -644.745840
where:
bonds (distance) C4'-P energy: -116.608
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -141.554
flat angles P-C4'-P energy: -93.158
tors. eta vs tors. theta energy: -176.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2047.603117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.603117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.603117 (E_RNA)
where:
Base-Base interactions energy: -1390.847
where: short stacking energy: -585.531
Base-Backbone interact. energy: -3.445
local terms energy: -653.311198
where:
bonds (distance) C4'-P energy: -119.734
bonds (distance) P-C4' energy: -130.957
flat angles C4'-P-C4' energy: -136.538
flat angles P-C4'-P energy: -92.865
tors. eta vs tors. theta energy: -173.217
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: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1878.955594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.955594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.955594 (E_RNA)
where:
Base-Base interactions energy: -1255.641
where: short stacking energy: -538.339
Base-Backbone interact. energy: -0.689
local terms energy: -622.624845
where:
bonds (distance) C4'-P energy: -119.564
bonds (distance) P-C4' energy: -120.151
flat angles C4'-P-C4' energy: -133.989
flat angles P-C4'-P energy: -96.261
tors. eta vs tors. theta energy: -152.660
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: 88
Temperature: 1.050000
Total energy: -1710.065457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.065457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.065457 (E_RNA)
where:
Base-Base interactions energy: -1112.087
where: short stacking energy: -485.285
Base-Backbone interact. energy: -1.145
local terms energy: -596.833744
where:
bonds (distance) C4'-P energy: -117.819
bonds (distance) P-C4' energy: -128.094
flat angles C4'-P-C4' energy: -130.621
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -135.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1650.648103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.648103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.648103 (E_RNA)
where:
Base-Base interactions energy: -1110.785
where: short stacking energy: -482.873
Base-Backbone interact. energy: 0.763
local terms energy: -540.626242
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -102.801
flat angles C4'-P-C4' energy: -127.006
flat angles P-C4'-P energy: -76.671
tors. eta vs tors. theta energy: -130.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1318.401233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.401233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.401233 (E_RNA)
where:
Base-Base interactions energy: -837.045
where: short stacking energy: -376.787
Base-Backbone interact. energy: -2.600
local terms energy: -478.756313
where:
bonds (distance) C4'-P energy: -108.049
bonds (distance) P-C4' energy: -106.040
flat angles C4'-P-C4' energy: -119.517
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: -75.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1141.141484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.141484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.141484 (E_RNA)
where:
Base-Base interactions energy: -702.632
where: short stacking energy: -340.926
Base-Backbone interact. energy: -1.141
local terms energy: -437.368267
where:
bonds (distance) C4'-P energy: -85.915
bonds (distance) P-C4' energy: -106.099
flat angles C4'-P-C4' energy: -104.301
flat angles P-C4'-P energy: -64.186
tors. eta vs tors. theta energy: -76.868
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: 3
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1142.771517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.771517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.771517 (E_RNA)
where:
Base-Base interactions energy: -722.110
where: short stacking energy: -326.621
Base-Backbone interact. energy: -1.755
local terms energy: -418.906513
where:
bonds (distance) C4'-P energy: -93.896
bonds (distance) P-C4' energy: -99.484
flat angles C4'-P-C4' energy: -99.840
flat angles P-C4'-P energy: -63.219
tors. eta vs tors. theta energy: -62.468
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: 2
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -955.677011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.677011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.677011 (E_RNA)
where:
Base-Base interactions energy: -590.045
where: short stacking energy: -299.632
Base-Backbone interact. energy: 3.151
local terms energy: -368.783526
where:
bonds (distance) C4'-P energy: -91.942
bonds (distance) P-C4' energy: -94.600
flat angles C4'-P-C4' energy: -110.351
flat angles P-C4'-P energy: -47.420
tors. eta vs tors. theta energy: -24.471
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: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -760.277087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.277087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.277087 (E_RNA)
where:
Base-Base interactions energy: -413.687
where: short stacking energy: -204.207
Base-Backbone interact. energy: 0.393
local terms energy: -346.983589
where:
bonds (distance) C4'-P energy: -80.179
bonds (distance) P-C4' energy: -96.003
flat angles C4'-P-C4' energy: -91.255
flat angles P-C4'-P energy: -64.693
tors. eta vs tors. theta energy: -14.854
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: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1997.669691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.669691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.669691 (E_RNA)
where:
Base-Base interactions energy: -1356.071
where: short stacking energy: -591.667
Base-Backbone interact. energy: -4.828
local terms energy: -636.771062
where:
bonds (distance) C4'-P energy: -116.411
bonds (distance) P-C4' energy: -121.283
flat angles C4'-P-C4' energy: -139.417
flat angles P-C4'-P energy: -90.861
tors. eta vs tors. theta energy: -168.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2010.314942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.314942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.314942 (E_RNA)
where:
Base-Base interactions energy: -1375.935
where: short stacking energy: -594.285
Base-Backbone interact. energy: -2.499
local terms energy: -631.880734
where:
bonds (distance) C4'-P energy: -115.701
bonds (distance) P-C4' energy: -111.704
flat angles C4'-P-C4' energy: -139.178
flat angles P-C4'-P energy: -93.985
tors. eta vs tors. theta energy: -171.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1893.714669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.714669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.714669 (E_RNA)
where:
Base-Base interactions energy: -1258.761
where: short stacking energy: -559.186
Base-Backbone interact. energy: -2.073
local terms energy: -632.880477
where:
bonds (distance) C4'-P energy: -125.913
bonds (distance) P-C4' energy: -116.335
flat angles C4'-P-C4' energy: -138.742
flat angles P-C4'-P energy: -99.401
tors. eta vs tors. theta energy: -152.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1782.032883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.032883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.032883 (E_RNA)
where:
Base-Base interactions energy: -1210.773
where: short stacking energy: -515.490
Base-Backbone interact. energy: -3.188
local terms energy: -568.071663
where:
bonds (distance) C4'-P energy: -108.419
bonds (distance) P-C4' energy: -112.453
flat angles C4'-P-C4' energy: -130.734
flat angles P-C4'-P energy: -84.559
tors. eta vs tors. theta energy: -131.908
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1686.785922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.785922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.785922 (E_RNA)
where:
Base-Base interactions energy: -1110.761
where: short stacking energy: -495.726
Base-Backbone interact. energy: -1.265
local terms energy: -574.758986
where:
bonds (distance) C4'-P energy: -121.112
bonds (distance) P-C4' energy: -103.442
flat angles C4'-P-C4' energy: -131.642
flat angles P-C4'-P energy: -84.722
tors. eta vs tors. theta energy: -133.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1368.303372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.303372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.303372 (E_RNA)
where:
Base-Base interactions energy: -855.036
where: short stacking energy: -389.856
Base-Backbone interact. energy: -0.383
local terms energy: -512.884384
where:
bonds (distance) C4'-P energy: -105.494
bonds (distance) P-C4' energy: -109.070
flat angles C4'-P-C4' energy: -126.745
flat angles P-C4'-P energy: -72.651
tors. eta vs tors. theta energy: -98.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1243.930627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.930627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.930627 (E_RNA)
where:
Base-Base interactions energy: -787.032
where: short stacking energy: -362.524
Base-Backbone interact. energy: -2.739
local terms energy: -454.159240
where:
bonds (distance) C4'-P energy: -109.864
bonds (distance) P-C4' energy: -106.962
flat angles C4'-P-C4' energy: -99.207
flat angles P-C4'-P energy: -58.060
tors. eta vs tors. theta energy: -80.067
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: 3
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1165.972518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.972518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.972518 (E_RNA)
where:
Base-Base interactions energy: -733.310
where: short stacking energy: -351.247
Base-Backbone interact. energy: -0.100
local terms energy: -432.562371
where:
bonds (distance) C4'-P energy: -83.317
bonds (distance) P-C4' energy: -101.705
flat angles C4'-P-C4' energy: -116.508
flat angles P-C4'-P energy: -70.227
tors. eta vs tors. theta energy: -60.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -959.073553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.073553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.073553 (E_RNA)
where:
Base-Base interactions energy: -540.025
where: short stacking energy: -258.658
Base-Backbone interact. energy: -2.859
local terms energy: -416.189339
where:
bonds (distance) C4'-P energy: -116.527
bonds (distance) P-C4' energy: -121.082
flat angles C4'-P-C4' energy: -93.100
flat angles P-C4'-P energy: -52.572
tors. eta vs tors. theta energy: -32.908
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: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -767.771072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.771072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.771072 (E_RNA)
where:
Base-Base interactions energy: -423.000
where: short stacking energy: -236.289
Base-Backbone interact. energy: 4.486
local terms energy: -349.257142
where:
bonds (distance) C4'-P energy: -83.053
bonds (distance) P-C4' energy: -111.220
flat angles C4'-P-C4' energy: -85.069
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -26.378
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: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2039.594054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.594054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.594054 (E_RNA)
where:
Base-Base interactions energy: -1400.388
where: short stacking energy: -575.274
Base-Backbone interact. energy: -2.980
local terms energy: -636.225840
where:
bonds (distance) C4'-P energy: -119.704
bonds (distance) P-C4' energy: -123.449
flat angles C4'-P-C4' energy: -130.617
flat angles P-C4'-P energy: -95.870
tors. eta vs tors. theta energy: -166.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1945.830330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.830330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.830330 (E_RNA)
where:
Base-Base interactions energy: -1296.638
where: short stacking energy: -562.021
Base-Backbone interact. energy: -3.047
local terms energy: -646.145864
where:
bonds (distance) C4'-P energy: -128.450
bonds (distance) P-C4' energy: -121.708
flat angles C4'-P-C4' energy: -143.969
flat angles P-C4'-P energy: -85.360
tors. eta vs tors. theta energy: -166.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1871.559106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.559106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.559106 (E_RNA)
where:
Base-Base interactions energy: -1261.916
where: short stacking energy: -541.461
Base-Backbone interact. energy: -0.283
local terms energy: -609.360006
where:
bonds (distance) C4'-P energy: -126.925
bonds (distance) P-C4' energy: -119.009
flat angles C4'-P-C4' energy: -134.326
flat angles P-C4'-P energy: -94.485
tors. eta vs tors. theta energy: -134.615
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: 10
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1757.079656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.079656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.079656 (E_RNA)
where:
Base-Base interactions energy: -1179.227
where: short stacking energy: -550.062
Base-Backbone interact. energy: -1.552
local terms energy: -576.300803
where:
bonds (distance) C4'-P energy: -93.218
bonds (distance) P-C4' energy: -119.850
flat angles C4'-P-C4' energy: -121.039
flat angles P-C4'-P energy: -91.957
tors. eta vs tors. theta energy: -150.237
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: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1692.524711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.524711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.524711 (E_RNA)
where:
Base-Base interactions energy: -1141.876
where: short stacking energy: -466.792
Base-Backbone interact. energy: 0.682
local terms energy: -551.330500
where:
bonds (distance) C4'-P energy: -116.099
bonds (distance) P-C4' energy: -118.991
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -70.855
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: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1375.171993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.171993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.171993 (E_RNA)
where:
Base-Base interactions energy: -869.060
where: short stacking energy: -411.041
Base-Backbone interact. energy: -2.121
local terms energy: -503.990364
where:
bonds (distance) C4'-P energy: -104.622
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -114.992
flat angles P-C4'-P energy: -66.781
tors. eta vs tors. theta energy: -103.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1229.192825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.192825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.192825 (E_RNA)
where:
Base-Base interactions energy: -756.250
where: short stacking energy: -350.196
Base-Backbone interact. energy: -0.509
local terms energy: -472.433841
where:
bonds (distance) C4'-P energy: -90.743
bonds (distance) P-C4' energy: -106.066
flat angles C4'-P-C4' energy: -129.992
flat angles P-C4'-P energy: -67.871
tors. eta vs tors. theta energy: -77.762
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: 3
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1156.222544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.222544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.222544 (E_RNA)
where:
Base-Base interactions energy: -715.053
where: short stacking energy: -334.191
Base-Backbone interact. energy: 1.820
local terms energy: -442.989913
where:
bonds (distance) C4'-P energy: -116.656
bonds (distance) P-C4' energy: -113.246
flat angles C4'-P-C4' energy: -103.566
flat angles P-C4'-P energy: -48.954
tors. eta vs tors. theta energy: -60.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -960.426123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.426123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.426123 (E_RNA)
where:
Base-Base interactions energy: -570.428
where: short stacking energy: -301.105
Base-Backbone interact. energy: 3.054
local terms energy: -393.051733
where:
bonds (distance) C4'-P energy: -98.143
bonds (distance) P-C4' energy: -108.751
flat angles C4'-P-C4' energy: -98.670
flat angles P-C4'-P energy: -57.348
tors. eta vs tors. theta energy: -30.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -747.083358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.083358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.083358 (E_RNA)
where:
Base-Base interactions energy: -409.278
where: short stacking energy: -230.731
Base-Backbone interact. energy: -3.753
local terms energy: -334.052904
where:
bonds (distance) C4'-P energy: -101.693
bonds (distance) P-C4' energy: -91.406
flat angles C4'-P-C4' energy: -86.262
flat angles P-C4'-P energy: -41.181
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2051.890106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.890106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.890106 (E_RNA)
where:
Base-Base interactions energy: -1411.910
where: short stacking energy: -602.472
Base-Backbone interact. energy: -2.114
local terms energy: -637.865910
where:
bonds (distance) C4'-P energy: -124.711
bonds (distance) P-C4' energy: -122.318
flat angles C4'-P-C4' energy: -144.767
flat angles P-C4'-P energy: -84.771
tors. eta vs tors. theta energy: -161.299
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: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1972.015833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.015833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.015833 (E_RNA)
where:
Base-Base interactions energy: -1332.578
where: short stacking energy: -573.312
Base-Backbone interact. energy: -5.449
local terms energy: -633.989025
where:
bonds (distance) C4'-P energy: -128.353
bonds (distance) P-C4' energy: -113.771
flat angles C4'-P-C4' energy: -132.990
flat angles P-C4'-P energy: -92.162
tors. eta vs tors. theta energy: -166.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1838.998796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.998796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.998796 (E_RNA)
where:
Base-Base interactions energy: -1233.654
where: short stacking energy: -520.587
Base-Backbone interact. energy: -1.112
local terms energy: -604.232430
where:
bonds (distance) C4'-P energy: -112.897
bonds (distance) P-C4' energy: -107.629
flat angles C4'-P-C4' energy: -132.239
flat angles P-C4'-P energy: -99.748
tors. eta vs tors. theta energy: -151.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1772.765117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.765117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.765117 (E_RNA)
where:
Base-Base interactions energy: -1199.253
where: short stacking energy: -508.218
Base-Backbone interact. energy: -2.718
local terms energy: -570.794559
where:
bonds (distance) C4'-P energy: -110.555
bonds (distance) P-C4' energy: -114.753
flat angles C4'-P-C4' energy: -141.459
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -132.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1726.220534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.220534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.220534 (E_RNA)
where:
Base-Base interactions energy: -1137.072
where: short stacking energy: -508.725
Base-Backbone interact. energy: -1.401
local terms energy: -587.747954
where:
bonds (distance) C4'-P energy: -112.108
bonds (distance) P-C4' energy: -121.285
flat angles C4'-P-C4' energy: -130.607
flat angles P-C4'-P energy: -84.139
tors. eta vs tors. theta energy: -139.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1364.267910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.267910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.267910 (E_RNA)
where:
Base-Base interactions energy: -864.357
where: short stacking energy: -429.015
Base-Backbone interact. energy: -1.208
local terms energy: -498.702789
where:
bonds (distance) C4'-P energy: -96.257
bonds (distance) P-C4' energy: -111.656
flat angles C4'-P-C4' energy: -108.829
flat angles P-C4'-P energy: -79.078
tors. eta vs tors. theta energy: -102.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1201.978532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.978532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.978532 (E_RNA)
where:
Base-Base interactions energy: -731.589
where: short stacking energy: -330.995
Base-Backbone interact. energy: -3.053
local terms energy: -467.336494
where:
bonds (distance) C4'-P energy: -115.982
bonds (distance) P-C4' energy: -102.172
flat angles C4'-P-C4' energy: -129.161
flat angles P-C4'-P energy: -71.439
tors. eta vs tors. theta energy: -48.583
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: 3
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1180.087142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.087142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.087142 (E_RNA)
where:
Base-Base interactions energy: -738.945
where: short stacking energy: -328.929
Base-Backbone interact. energy: -3.161
local terms energy: -437.981004
where:
bonds (distance) C4'-P energy: -110.067
bonds (distance) P-C4' energy: -103.407
flat angles C4'-P-C4' energy: -116.174
flat angles P-C4'-P energy: -49.279
tors. eta vs tors. theta energy: -59.054
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: 2
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -964.820939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.820939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.820939 (E_RNA)
where:
Base-Base interactions energy: -563.558
where: short stacking energy: -269.948
Base-Backbone interact. energy: 2.525
local terms energy: -403.787696
where:
bonds (distance) C4'-P energy: -116.548
bonds (distance) P-C4' energy: -101.349
flat angles C4'-P-C4' energy: -99.872
flat angles P-C4'-P energy: -62.022
tors. eta vs tors. theta energy: -23.996
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: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -796.431389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.431389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.431389 (E_RNA)
where:
Base-Base interactions energy: -406.695
where: short stacking energy: -206.330
Base-Backbone interact. energy: 1.664
local terms energy: -391.399805
where:
bonds (distance) C4'-P energy: -128.953
bonds (distance) P-C4' energy: -125.567
flat angles C4'-P-C4' energy: -88.769
flat angles P-C4'-P energy: -48.554
tors. eta vs tors. theta energy: 0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2028.024525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.024525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.024525 (E_RNA)
where:
Base-Base interactions energy: -1410.830
where: short stacking energy: -583.668
Base-Backbone interact. energy: -3.673
local terms energy: -613.521042
where:
bonds (distance) C4'-P energy: -123.012
bonds (distance) P-C4' energy: -113.098
flat angles C4'-P-C4' energy: -132.263
flat angles P-C4'-P energy: -89.784
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: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2002.153964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.153964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.153964 (E_RNA)
where:
Base-Base interactions energy: -1353.836
where: short stacking energy: -605.941
Base-Backbone interact. energy: -3.239
local terms energy: -645.079107
where:
bonds (distance) C4'-P energy: -131.470
bonds (distance) P-C4' energy: -119.990
flat angles C4'-P-C4' energy: -138.312
flat angles P-C4'-P energy: -85.694
tors. eta vs tors. theta energy: -169.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1855.990994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.990994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.990994 (E_RNA)
where:
Base-Base interactions energy: -1260.546
where: short stacking energy: -552.019
Base-Backbone interact. energy: -3.290
local terms energy: -592.155144
where:
bonds (distance) C4'-P energy: -105.175
bonds (distance) P-C4' energy: -130.345
flat angles C4'-P-C4' energy: -136.685
flat angles P-C4'-P energy: -75.497
tors. eta vs tors. theta energy: -144.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1742.690930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.690930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.690930 (E_RNA)
where:
Base-Base interactions energy: -1173.872
where: short stacking energy: -503.253
Base-Backbone interact. energy: -3.298
local terms energy: -565.520638
where:
bonds (distance) C4'-P energy: -116.147
bonds (distance) P-C4' energy: -106.969
flat angles C4'-P-C4' energy: -138.980
flat angles P-C4'-P energy: -71.814
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1682.980612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.980612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.980612 (E_RNA)
where:
Base-Base interactions energy: -1139.776
where: short stacking energy: -500.866
Base-Backbone interact. energy: 3.785
local terms energy: -546.990184
where:
bonds (distance) C4'-P energy: -120.501
bonds (distance) P-C4' energy: -95.406
flat angles C4'-P-C4' energy: -134.144
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -126.941
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: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1350.112886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.112886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.112886 (E_RNA)
where:
Base-Base interactions energy: -855.897
where: short stacking energy: -411.097
Base-Backbone interact. energy: 1.698
local terms energy: -495.914416
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -109.235
flat angles C4'-P-C4' energy: -104.869
flat angles P-C4'-P energy: -75.580
tors. eta vs tors. theta energy: -93.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1228.792581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.792581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.792581 (E_RNA)
where:
Base-Base interactions energy: -769.670
where: short stacking energy: -367.776
Base-Backbone interact. energy: -0.412
local terms energy: -458.710713
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -109.523
flat angles C4'-P-C4' energy: -102.649
flat angles P-C4'-P energy: -62.094
tors. eta vs tors. theta energy: -73.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1098.321438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.321438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.321438 (E_RNA)
where:
Base-Base interactions energy: -665.171
where: short stacking energy: -299.154
Base-Backbone interact. energy: -1.831
local terms energy: -431.319726
where:
bonds (distance) C4'-P energy: -95.512
bonds (distance) P-C4' energy: -107.901
flat angles C4'-P-C4' energy: -112.228
flat angles P-C4'-P energy: -56.659
tors. eta vs tors. theta energy: -59.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -961.154467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.154467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.154467 (E_RNA)
where:
Base-Base interactions energy: -581.056
where: short stacking energy: -276.659
Base-Backbone interact. energy: 2.556
local terms energy: -382.654389
where:
bonds (distance) C4'-P energy: -93.093
bonds (distance) P-C4' energy: -95.400
flat angles C4'-P-C4' energy: -100.252
flat angles P-C4'-P energy: -53.296
tors. eta vs tors. theta energy: -40.613
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: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -766.240613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.240613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.240613 (E_RNA)
where:
Base-Base interactions energy: -419.210
where: short stacking energy: -229.118
Base-Backbone interact. energy: 2.001
local terms energy: -349.032234
where:
bonds (distance) C4'-P energy: -93.480
bonds (distance) P-C4' energy: -103.171
flat angles C4'-P-C4' energy: -99.545
flat angles P-C4'-P energy: -48.188
tors. eta vs tors. theta energy: -4.648
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: 9
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2059.158764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.158764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.158764 (E_RNA)
where:
Base-Base interactions energy: -1412.747
where: short stacking energy: -602.768
Base-Backbone interact. energy: -3.316
local terms energy: -643.095438
where:
bonds (distance) C4'-P energy: -125.432
bonds (distance) P-C4' energy: -125.776
flat angles C4'-P-C4' energy: -131.871
flat angles P-C4'-P energy: -97.647
tors. eta vs tors. theta energy: -162.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1986.168452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.168452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.168452 (E_RNA)
where:
Base-Base interactions energy: -1353.504
where: short stacking energy: -584.348
Base-Backbone interact. energy: -5.457
local terms energy: -627.207424
where:
bonds (distance) C4'-P energy: -112.409
bonds (distance) P-C4' energy: -115.948
flat angles C4'-P-C4' energy: -130.182
flat angles P-C4'-P energy: -88.145
tors. eta vs tors. theta energy: -180.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1871.332282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.332282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.332282 (E_RNA)
where:
Base-Base interactions energy: -1257.278
where: short stacking energy: -560.013
Base-Backbone interact. energy: -1.647
local terms energy: -612.407117
where:
bonds (distance) C4'-P energy: -126.006
bonds (distance) P-C4' energy: -111.684
flat angles C4'-P-C4' energy: -123.539
flat angles P-C4'-P energy: -92.384
tors. eta vs tors. theta energy: -158.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1746.712305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.712305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.712305 (E_RNA)
where:
Base-Base interactions energy: -1189.505
where: short stacking energy: -492.642
Base-Backbone interact. energy: -0.499
local terms energy: -556.708104
where:
bonds (distance) C4'-P energy: -96.892
bonds (distance) P-C4' energy: -118.443
flat angles C4'-P-C4' energy: -131.201
flat angles P-C4'-P energy: -90.256
tors. eta vs tors. theta energy: -119.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1667.864781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.864781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.864781 (E_RNA)
where:
Base-Base interactions energy: -1120.842
where: short stacking energy: -501.017
Base-Backbone interact. energy: 4.443
local terms energy: -551.466434
where:
bonds (distance) C4'-P energy: -99.935
bonds (distance) P-C4' energy: -123.388
flat angles C4'-P-C4' energy: -115.209
flat angles P-C4'-P energy: -83.802
tors. eta vs tors. theta energy: -129.132
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: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1352.524291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.524291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.524291 (E_RNA)
where:
Base-Base interactions energy: -858.167
where: short stacking energy: -386.746
Base-Backbone interact. energy: -1.552
local terms energy: -492.804838
where:
bonds (distance) C4'-P energy: -100.871
bonds (distance) P-C4' energy: -115.320
flat angles C4'-P-C4' energy: -105.922
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -98.368
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: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1229.106295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.106295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.106295 (E_RNA)
where:
Base-Base interactions energy: -759.647
where: short stacking energy: -338.486
Base-Backbone interact. energy: 4.223
local terms energy: -473.682595
where:
bonds (distance) C4'-P energy: -110.227
bonds (distance) P-C4' energy: -111.450
flat angles C4'-P-C4' energy: -109.118
flat angles P-C4'-P energy: -82.423
tors. eta vs tors. theta energy: -60.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1028.664403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.664403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.664403 (E_RNA)
where:
Base-Base interactions energy: -635.146
where: short stacking energy: -299.529
Base-Backbone interact. energy: -0.571
local terms energy: -392.947988
where:
bonds (distance) C4'-P energy: -107.695
bonds (distance) P-C4' energy: -96.539
flat angles C4'-P-C4' energy: -89.426
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -995.565763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.565763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.565763 (E_RNA)
where:
Base-Base interactions energy: -596.534
where: short stacking energy: -265.726
Base-Backbone interact. energy: 1.985
local terms energy: -401.016419
where:
bonds (distance) C4'-P energy: -119.757
bonds (distance) P-C4' energy: -106.956
flat angles C4'-P-C4' energy: -78.665
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -37.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -688.046542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.046542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.046542 (E_RNA)
where:
Base-Base interactions energy: -347.827
where: short stacking energy: -198.565
Base-Backbone interact. energy: 3.294
local terms energy: -343.513012
where:
bonds (distance) C4'-P energy: -90.847
bonds (distance) P-C4' energy: -104.337
flat angles C4'-P-C4' energy: -98.169
flat angles P-C4'-P energy: -41.882
tors. eta vs tors. theta energy: -8.278
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: 9
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2043.573186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.573186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.573186 (E_RNA)
where:
Base-Base interactions energy: -1387.568
where: short stacking energy: -591.809
Base-Backbone interact. energy: -4.864
local terms energy: -651.141925
where:
bonds (distance) C4'-P energy: -115.513
bonds (distance) P-C4' energy: -140.237
flat angles C4'-P-C4' energy: -130.159
flat angles P-C4'-P energy: -97.651
tors. eta vs tors. theta energy: -167.583
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: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1980.515660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.515660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.515660 (E_RNA)
where:
Base-Base interactions energy: -1338.077
where: short stacking energy: -585.351
Base-Backbone interact. energy: -2.839
local terms energy: -639.599662
where:
bonds (distance) C4'-P energy: -120.249
bonds (distance) P-C4' energy: -129.742
flat angles C4'-P-C4' energy: -137.563
flat angles P-C4'-P energy: -78.198
tors. eta vs tors. theta energy: -173.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1844.155753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.155753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.155753 (E_RNA)
where:
Base-Base interactions energy: -1235.932
where: short stacking energy: -536.814
Base-Backbone interact. energy: -3.053
local terms energy: -605.170393
where:
bonds (distance) C4'-P energy: -114.360
bonds (distance) P-C4' energy: -122.242
flat angles C4'-P-C4' energy: -135.933
flat angles P-C4'-P energy: -84.869
tors. eta vs tors. theta energy: -147.766
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: 94
Temperature: 1.050000
Total energy: -1759.608459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.608459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.608459 (E_RNA)
where:
Base-Base interactions energy: -1152.709
where: short stacking energy: -484.252
Base-Backbone interact. energy: -5.456
local terms energy: -601.443534
where:
bonds (distance) C4'-P energy: -118.496
bonds (distance) P-C4' energy: -131.608
flat angles C4'-P-C4' energy: -127.505
flat angles P-C4'-P energy: -87.253
tors. eta vs tors. theta energy: -136.582
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: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1602.550753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.550753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.550753 (E_RNA)
where:
Base-Base interactions energy: -1061.848
where: short stacking energy: -474.611
Base-Backbone interact. energy: -1.638
local terms energy: -539.064955
where:
bonds (distance) C4'-P energy: -108.122
bonds (distance) P-C4' energy: -105.182
flat angles C4'-P-C4' energy: -120.592
flat angles P-C4'-P energy: -81.295
tors. eta vs tors. theta energy: -123.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1324.694618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.694618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.694618 (E_RNA)
where:
Base-Base interactions energy: -833.210
where: short stacking energy: -385.286
Base-Backbone interact. energy: -0.213
local terms energy: -491.272042
where:
bonds (distance) C4'-P energy: -108.142
bonds (distance) P-C4' energy: -122.158
flat angles C4'-P-C4' energy: -114.328
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -82.572
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: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1144.698089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.698089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.698089 (E_RNA)
where:
Base-Base interactions energy: -677.758
where: short stacking energy: -327.765
Base-Backbone interact. energy: -3.169
local terms energy: -463.770985
where:
bonds (distance) C4'-P energy: -106.516
bonds (distance) P-C4' energy: -105.135
flat angles C4'-P-C4' energy: -117.448
flat angles P-C4'-P energy: -77.465
tors. eta vs tors. theta energy: -57.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1069.815441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.815441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.815441 (E_RNA)
where:
Base-Base interactions energy: -657.541
where: short stacking energy: -303.156
Base-Backbone interact. energy: -2.259
local terms energy: -410.015222
where:
bonds (distance) C4'-P energy: -92.715
bonds (distance) P-C4' energy: -117.844
flat angles C4'-P-C4' energy: -115.745
flat angles P-C4'-P energy: -26.686
tors. eta vs tors. theta energy: -57.025
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: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -972.650614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.650614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.650614 (E_RNA)
where:
Base-Base interactions energy: -571.333
where: short stacking energy: -278.666
Base-Backbone interact. energy: 1.638
local terms energy: -402.955013
where:
bonds (distance) C4'-P energy: -99.834
bonds (distance) P-C4' energy: -118.148
flat angles C4'-P-C4' energy: -108.181
flat angles P-C4'-P energy: -56.753
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -697.314020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.314020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.314020 (E_RNA)
where:
Base-Base interactions energy: -343.036
where: short stacking energy: -201.294
Base-Backbone interact. energy: -3.066
local terms energy: -351.212037
where:
bonds (distance) C4'-P energy: -98.441
bonds (distance) P-C4' energy: -111.787
flat angles C4'-P-C4' energy: -87.100
flat angles P-C4'-P energy: -49.648
tors. eta vs tors. theta energy: -4.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2058.730467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.730467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.730467 (E_RNA)
where:
Base-Base interactions energy: -1424.049
where: short stacking energy: -620.160
Base-Backbone interact. energy: -7.689
local terms energy: -626.991656
where:
bonds (distance) C4'-P energy: -117.318
bonds (distance) P-C4' energy: -118.519
flat angles C4'-P-C4' energy: -153.083
flat angles P-C4'-P energy: -72.892
tors. eta vs tors. theta energy: -165.180
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: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2043.185937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.185937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.185937 (E_RNA)
where:
Base-Base interactions energy: -1393.868
where: short stacking energy: -626.897
Base-Backbone interact. energy: -2.731
local terms energy: -646.587481
where:
bonds (distance) C4'-P energy: -121.212
bonds (distance) P-C4' energy: -118.121
flat angles C4'-P-C4' energy: -145.454
flat angles P-C4'-P energy: -91.000
tors. eta vs tors. theta energy: -170.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1877.853023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.853023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.853023 (E_RNA)
where:
Base-Base interactions energy: -1271.089
where: short stacking energy: -534.096
Base-Backbone interact. energy: 3.633
local terms energy: -610.397340
where:
bonds (distance) C4'-P energy: -115.705
bonds (distance) P-C4' energy: -130.398
flat angles C4'-P-C4' energy: -130.583
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -151.295
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: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1750.371359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.371359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.371359 (E_RNA)
where:
Base-Base interactions energy: -1158.668
where: short stacking energy: -496.593
Base-Backbone interact. energy: -5.398
local terms energy: -586.304932
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -135.356
flat angles C4'-P-C4' energy: -138.191
flat angles P-C4'-P energy: -73.894
tors. eta vs tors. theta energy: -124.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1639.614246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.614246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.614246 (E_RNA)
where:
Base-Base interactions energy: -1101.494
where: short stacking energy: -462.484
Base-Backbone interact. energy: -2.594
local terms energy: -535.526048
where:
bonds (distance) C4'-P energy: -121.376
bonds (distance) P-C4' energy: -121.033
flat angles C4'-P-C4' energy: -106.824
flat angles P-C4'-P energy: -76.002
tors. eta vs tors. theta energy: -110.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1316.443392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.443392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.443392 (E_RNA)
where:
Base-Base interactions energy: -854.863
where: short stacking energy: -379.175
Base-Backbone interact. energy: 0.721
local terms energy: -462.301739
where:
bonds (distance) C4'-P energy: -102.504
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -121.597
flat angles P-C4'-P energy: -68.294
tors. eta vs tors. theta energy: -70.066
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1232.069200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.069200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.069200 (E_RNA)
where:
Base-Base interactions energy: -776.190
where: short stacking energy: -379.849
Base-Backbone interact. energy: -2.264
local terms energy: -453.614893
where:
bonds (distance) C4'-P energy: -88.933
bonds (distance) P-C4' energy: -123.098
flat angles C4'-P-C4' energy: -101.378
flat angles P-C4'-P energy: -64.673
tors. eta vs tors. theta energy: -75.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1087.686218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.686218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.686218 (E_RNA)
where:
Base-Base interactions energy: -672.663
where: short stacking energy: -314.731
Base-Backbone interact. energy: 0.367
local terms energy: -415.390207
where:
bonds (distance) C4'-P energy: -110.485
bonds (distance) P-C4' energy: -99.111
flat angles C4'-P-C4' energy: -118.378
flat angles P-C4'-P energy: -43.207
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -932.442484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.442484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.442484 (E_RNA)
where:
Base-Base interactions energy: -511.651
where: short stacking energy: -267.036
Base-Backbone interact. energy: -0.943
local terms energy: -419.847725
where:
bonds (distance) C4'-P energy: -93.166
bonds (distance) P-C4' energy: -130.491
flat angles C4'-P-C4' energy: -97.497
flat angles P-C4'-P energy: -58.704
tors. eta vs tors. theta energy: -39.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -710.378491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.378491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.378491 (E_RNA)
where:
Base-Base interactions energy: -357.203
where: short stacking energy: -170.183
Base-Backbone interact. energy: -2.874
local terms energy: -350.301398
where:
bonds (distance) C4'-P energy: -87.091
bonds (distance) P-C4' energy: -112.124
flat angles C4'-P-C4' energy: -99.468
flat angles P-C4'-P energy: -56.704
tors. eta vs tors. theta energy: 5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2073.526867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.526867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.526867 (E_RNA)
where:
Base-Base interactions energy: -1411.733
where: short stacking energy: -586.439
Base-Backbone interact. energy: -5.466
local terms energy: -656.327970
where:
bonds (distance) C4'-P energy: -122.007
bonds (distance) P-C4' energy: -125.419
flat angles C4'-P-C4' energy: -139.867
flat angles P-C4'-P energy: -98.268
tors. eta vs tors. theta energy: -170.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2001.610084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.610084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.610084 (E_RNA)
where:
Base-Base interactions energy: -1338.797
where: short stacking energy: -596.821
Base-Backbone interact. energy: -2.762
local terms energy: -660.051214
where:
bonds (distance) C4'-P energy: -123.565
bonds (distance) P-C4' energy: -119.939
flat angles C4'-P-C4' energy: -144.657
flat angles P-C4'-P energy: -100.094
tors. eta vs tors. theta energy: -171.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1859.091549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.091549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.091549 (E_RNA)
where:
Base-Base interactions energy: -1271.933
where: short stacking energy: -554.553
Base-Backbone interact. energy: -1.093
local terms energy: -586.065322
where:
bonds (distance) C4'-P energy: -105.002
bonds (distance) P-C4' energy: -107.277
flat angles C4'-P-C4' energy: -130.843
flat angles P-C4'-P energy: -87.890
tors. eta vs tors. theta energy: -155.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1736.941357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.941357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.941357 (E_RNA)
where:
Base-Base interactions energy: -1163.723
where: short stacking energy: -493.498
Base-Backbone interact. energy: -3.563
local terms energy: -569.654561
where:
bonds (distance) C4'-P energy: -112.371
bonds (distance) P-C4' energy: -123.832
flat angles C4'-P-C4' energy: -120.911
flat angles P-C4'-P energy: -79.574
tors. eta vs tors. theta energy: -132.966
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: 5, replica: 4
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1604.115373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.115373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.115373 (E_RNA)
where:
Base-Base interactions energy: -1056.756
where: short stacking energy: -474.726
Base-Backbone interact. energy: 0.284
local terms energy: -547.643512
where:
bonds (distance) C4'-P energy: -101.126
bonds (distance) P-C4' energy: -112.503
flat angles C4'-P-C4' energy: -124.313
flat angles P-C4'-P energy: -82.795
tors. eta vs tors. theta energy: -126.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1319.062187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.062187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.062187 (E_RNA)
where:
Base-Base interactions energy: -836.949
where: short stacking energy: -386.280
Base-Backbone interact. energy: -0.963
local terms energy: -481.149961
where:
bonds (distance) C4'-P energy: -110.629
bonds (distance) P-C4' energy: -107.448
flat angles C4'-P-C4' energy: -120.951
flat angles P-C4'-P energy: -66.132
tors. eta vs tors. theta energy: -75.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1183.551551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.551551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.551551 (E_RNA)
where:
Base-Base interactions energy: -738.261
where: short stacking energy: -341.441
Base-Backbone interact. energy: 6.695
local terms energy: -451.985495
where:
bonds (distance) C4'-P energy: -109.420
bonds (distance) P-C4' energy: -116.526
flat angles C4'-P-C4' energy: -110.701
flat angles P-C4'-P energy: -55.237
tors. eta vs tors. theta energy: -60.102
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: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1144.563744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.563744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.563744 (E_RNA)
where:
Base-Base interactions energy: -715.889
where: short stacking energy: -340.082
Base-Backbone interact. energy: 6.533
local terms energy: -435.207403
where:
bonds (distance) C4'-P energy: -101.075
bonds (distance) P-C4' energy: -105.237
flat angles C4'-P-C4' energy: -103.905
flat angles P-C4'-P energy: -58.506
tors. eta vs tors. theta energy: -66.484
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: 2
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -938.761315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.761315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.761315 (E_RNA)
where:
Base-Base interactions energy: -557.838
where: short stacking energy: -261.966
Base-Backbone interact. energy: -0.184
local terms energy: -380.739890
where:
bonds (distance) C4'-P energy: -104.746
bonds (distance) P-C4' energy: -87.058
flat angles C4'-P-C4' energy: -105.006
flat angles P-C4'-P energy: -54.395
tors. eta vs tors. theta energy: -29.535
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: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -734.818586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.818586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.818586 (E_RNA)
where:
Base-Base interactions energy: -422.954
where: short stacking energy: -206.948
Base-Backbone interact. energy: 1.427
local terms energy: -313.292023
where:
bonds (distance) C4'-P energy: -87.083
bonds (distance) P-C4' energy: -90.769
flat angles C4'-P-C4' energy: -89.827
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -0.288
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: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2093.000440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.000440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.000440 (E_RNA)
where:
Base-Base interactions energy: -1431.338
where: short stacking energy: -610.346
Base-Backbone interact. energy: -4.962
local terms energy: -656.700161
where:
bonds (distance) C4'-P energy: -117.289
bonds (distance) P-C4' energy: -125.065
flat angles C4'-P-C4' energy: -144.849
flat angles P-C4'-P energy: -99.370
tors. eta vs tors. theta energy: -170.127
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: 2, replica: 1
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2025.836210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.836210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.836210 (E_RNA)
where:
Base-Base interactions energy: -1362.014
where: short stacking energy: -601.478
Base-Backbone interact. energy: -1.862
local terms energy: -661.960236
where:
bonds (distance) C4'-P energy: -128.433
bonds (distance) P-C4' energy: -132.445
flat angles C4'-P-C4' energy: -137.388
flat angles P-C4'-P energy: -94.687
tors. eta vs tors. theta energy: -169.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1872.790970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.790970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.790970 (E_RNA)
where:
Base-Base interactions energy: -1284.981
where: short stacking energy: -557.516
Base-Backbone interact. energy: -0.231
local terms energy: -587.579406
where:
bonds (distance) C4'-P energy: -114.144
bonds (distance) P-C4' energy: -112.301
flat angles C4'-P-C4' energy: -128.204
flat angles P-C4'-P energy: -73.884
tors. eta vs tors. theta energy: -159.047
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: 4, replica: 10
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1715.096731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.096731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.096731 (E_RNA)
where:
Base-Base interactions energy: -1177.966
where: short stacking energy: -502.466
Base-Backbone interact. energy: 5.253
local terms energy: -542.383930
where:
bonds (distance) C4'-P energy: -105.380
bonds (distance) P-C4' energy: -115.703
flat angles C4'-P-C4' energy: -121.072
flat angles P-C4'-P energy: -71.045
tors. eta vs tors. theta energy: -129.183
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: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1570.505207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.505207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.505207 (E_RNA)
where:
Base-Base interactions energy: -1050.578
where: short stacking energy: -454.491
Base-Backbone interact. energy: 1.652
local terms energy: -521.579684
where:
bonds (distance) C4'-P energy: -114.175
bonds (distance) P-C4' energy: -102.380
flat angles C4'-P-C4' energy: -125.172
flat angles P-C4'-P energy: -72.388
tors. eta vs tors. theta energy: -107.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1341.617753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.617753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.617753 (E_RNA)
where:
Base-Base interactions energy: -852.063
where: short stacking energy: -386.410
Base-Backbone interact. energy: 5.463
local terms energy: -495.017657
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -122.946
flat angles C4'-P-C4' energy: -114.090
flat angles P-C4'-P energy: -73.626
tors. eta vs tors. theta energy: -82.921
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1235.328466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.328466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.328466 (E_RNA)
where:
Base-Base interactions energy: -770.427
where: short stacking energy: -370.330
Base-Backbone interact. energy: 1.491
local terms energy: -466.392212
where:
bonds (distance) C4'-P energy: -108.324
bonds (distance) P-C4' energy: -103.731
flat angles C4'-P-C4' energy: -106.854
flat angles P-C4'-P energy: -83.561
tors. eta vs tors. theta energy: -63.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1004.710399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.710399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.710399 (E_RNA)
where:
Base-Base interactions energy: -570.388
where: short stacking energy: -281.032
Base-Backbone interact. energy: -2.486
local terms energy: -431.837088
where:
bonds (distance) C4'-P energy: -101.130
bonds (distance) P-C4' energy: -108.296
flat angles C4'-P-C4' energy: -125.315
flat angles P-C4'-P energy: -63.299
tors. eta vs tors. theta energy: -33.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1057.501633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.501633 (E_RNA)
where:
Base-Base interactions energy: -617.359
where: short stacking energy: -299.685
Base-Backbone interact. energy: -2.111
local terms energy: -438.032179
where:
bonds (distance) C4'-P energy: -97.099
bonds (distance) P-C4' energy: -105.694
flat angles C4'-P-C4' energy: -113.565
flat angles P-C4'-P energy: -63.098
tors. eta vs tors. theta energy: -58.576
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -702.048565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.048565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.048565 (E_RNA)
where:
Base-Base interactions energy: -369.836
where: short stacking energy: -203.416
Base-Backbone interact. energy: 0.951
local terms energy: -333.163005
where:
bonds (distance) C4'-P energy: -88.470
bonds (distance) P-C4' energy: -98.749
flat angles C4'-P-C4' energy: -85.029
flat angles P-C4'-P energy: -47.425
tors. eta vs tors. theta energy: -13.490
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: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2104.281337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.281337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.281337 (E_RNA)
where:
Base-Base interactions energy: -1471.155
where: short stacking energy: -591.694
Base-Backbone interact. energy: -4.075
local terms energy: -629.051276
where:
bonds (distance) C4'-P energy: -121.565
bonds (distance) P-C4' energy: -118.554
flat angles C4'-P-C4' energy: -136.708
flat angles P-C4'-P energy: -83.583
tors. eta vs tors. theta energy: -168.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1965.262806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.262806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.262806 (E_RNA)
where:
Base-Base interactions energy: -1351.276
where: short stacking energy: -574.687
Base-Backbone interact. energy: -0.107
local terms energy: -613.879152
where:
bonds (distance) C4'-P energy: -111.820
bonds (distance) P-C4' energy: -111.529
flat angles C4'-P-C4' energy: -129.580
flat angles P-C4'-P energy: -86.603
tors. eta vs tors. theta energy: -174.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1866.256057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.256057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.256057 (E_RNA)
where:
Base-Base interactions energy: -1242.003
where: short stacking energy: -580.711
Base-Backbone interact. energy: -2.679
local terms energy: -621.573779
where:
bonds (distance) C4'-P energy: -116.729
bonds (distance) P-C4' energy: -115.506
flat angles C4'-P-C4' energy: -142.261
flat angles P-C4'-P energy: -97.211
tors. eta vs tors. theta energy: -149.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1745.627994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.627994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.627994 (E_RNA)
where:
Base-Base interactions energy: -1161.814
where: short stacking energy: -507.596
Base-Backbone interact. energy: -0.822
local terms energy: -582.991166
where:
bonds (distance) C4'-P energy: -114.175
bonds (distance) P-C4' energy: -104.988
flat angles C4'-P-C4' energy: -135.043
flat angles P-C4'-P energy: -83.624
tors. eta vs tors. theta energy: -145.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1672.963884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.963884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.963884 (E_RNA)
where:
Base-Base interactions energy: -1104.481
where: short stacking energy: -489.049
Base-Backbone interact. energy: -3.093
local terms energy: -565.389907
where:
bonds (distance) C4'-P energy: -114.521
bonds (distance) P-C4' energy: -122.660
flat angles C4'-P-C4' energy: -115.448
flat angles P-C4'-P energy: -83.820
tors. eta vs tors. theta energy: -128.941
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: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1360.126476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.126476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.126476 (E_RNA)
where:
Base-Base interactions energy: -868.725
where: short stacking energy: -399.576
Base-Backbone interact. energy: 0.979
local terms energy: -492.380279
where:
bonds (distance) C4'-P energy: -107.779
bonds (distance) P-C4' energy: -100.306
flat angles C4'-P-C4' energy: -122.113
flat angles P-C4'-P energy: -64.327
tors. eta vs tors. theta energy: -97.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1180.409849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.409849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.409849 (E_RNA)
where:
Base-Base interactions energy: -736.283
where: short stacking energy: -342.797
Base-Backbone interact. energy: 2.214
local terms energy: -446.340667
where:
bonds (distance) C4'-P energy: -97.265
bonds (distance) P-C4' energy: -118.074
flat angles C4'-P-C4' energy: -102.291
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -56.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1080.348206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.348206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.348206 (E_RNA)
where:
Base-Base interactions energy: -652.945
where: short stacking energy: -317.372
Base-Backbone interact. energy: -1.947
local terms energy: -425.456161
where:
bonds (distance) C4'-P energy: -96.156
bonds (distance) P-C4' energy: -116.938
flat angles C4'-P-C4' energy: -104.418
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -69.379
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -861.307114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.307114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.307114 (E_RNA)
where:
Base-Base interactions energy: -482.488
where: short stacking energy: -249.949
Base-Backbone interact. energy: 3.729
local terms energy: -382.548582
where:
bonds (distance) C4'-P energy: -105.336
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -105.694
flat angles P-C4'-P energy: -45.538
tors. eta vs tors. theta energy: -25.546
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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -732.153377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.153377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.153377 (E_RNA)
where:
Base-Base interactions energy: -370.006
where: short stacking energy: -192.896
Base-Backbone interact. energy: -0.283
local terms energy: -361.864533
where:
bonds (distance) C4'-P energy: -99.890
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -90.606
flat angles P-C4'-P energy: -62.634
tors. eta vs tors. theta energy: 2.866
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: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2096.788283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.788283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.788283 (E_RNA)
where:
Base-Base interactions energy: -1439.652
where: short stacking energy: -591.035
Base-Backbone interact. energy: -6.991
local terms energy: -650.145470
where:
bonds (distance) C4'-P energy: -116.362
bonds (distance) P-C4' energy: -128.417
flat angles C4'-P-C4' energy: -142.468
flat angles P-C4'-P energy: -95.764
tors. eta vs tors. theta energy: -167.135
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: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1977.702407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.702407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.702407 (E_RNA)
where:
Base-Base interactions energy: -1348.040
where: short stacking energy: -585.668
Base-Backbone interact. energy: -0.496
local terms energy: -629.166754
where:
bonds (distance) C4'-P energy: -124.532
bonds (distance) P-C4' energy: -116.095
flat angles C4'-P-C4' energy: -134.593
flat angles P-C4'-P energy: -81.786
tors. eta vs tors. theta energy: -172.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1867.270893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.270893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.270893 (E_RNA)
where:
Base-Base interactions energy: -1250.307
where: short stacking energy: -571.755
Base-Backbone interact. energy: -0.459
local terms energy: -616.504899
where:
bonds (distance) C4'-P energy: -126.324
bonds (distance) P-C4' energy: -124.272
flat angles C4'-P-C4' energy: -127.584
flat angles P-C4'-P energy: -83.640
tors. eta vs tors. theta energy: -154.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1742.929871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.929871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.929871 (E_RNA)
where:
Base-Base interactions energy: -1157.045
where: short stacking energy: -517.150
Base-Backbone interact. energy: -2.055
local terms energy: -583.830103
where:
bonds (distance) C4'-P energy: -118.360
bonds (distance) P-C4' energy: -120.040
flat angles C4'-P-C4' energy: -132.000
flat angles P-C4'-P energy: -88.973
tors. eta vs tors. theta energy: -124.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1673.766344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.766344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.766344 (E_RNA)
where:
Base-Base interactions energy: -1142.355
where: short stacking energy: -472.442
Base-Backbone interact. energy: 1.006
local terms energy: -532.417673
where:
bonds (distance) C4'-P energy: -84.616
bonds (distance) P-C4' energy: -126.788
flat angles C4'-P-C4' energy: -130.175
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -120.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1327.571614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.571614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.571614 (E_RNA)
where:
Base-Base interactions energy: -865.264
where: short stacking energy: -405.983
Base-Backbone interact. energy: 1.213
local terms energy: -463.520633
where:
bonds (distance) C4'-P energy: -106.900
bonds (distance) P-C4' energy: -97.345
flat angles C4'-P-C4' energy: -122.905
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1183.529993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.529993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.529993 (E_RNA)
where:
Base-Base interactions energy: -743.449
where: short stacking energy: -338.088
Base-Backbone interact. energy: -2.400
local terms energy: -437.681107
where:
bonds (distance) C4'-P energy: -98.277
bonds (distance) P-C4' energy: -100.672
flat angles C4'-P-C4' energy: -113.025
flat angles P-C4'-P energy: -71.449
tors. eta vs tors. theta energy: -54.258
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: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1022.742526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.742526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.742526 (E_RNA)
where:
Base-Base interactions energy: -596.753
where: short stacking energy: -293.537
Base-Backbone interact. energy: 0.742
local terms energy: -426.731848
where:
bonds (distance) C4'-P energy: -103.466
bonds (distance) P-C4' energy: -111.600
flat angles C4'-P-C4' energy: -98.912
flat angles P-C4'-P energy: -63.031
tors. eta vs tors. theta energy: -49.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -779.694678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.694678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.694678 (E_RNA)
where:
Base-Base interactions energy: -406.435
where: short stacking energy: -221.730
Base-Backbone interact. energy: 1.161
local terms energy: -374.420413
where:
bonds (distance) C4'-P energy: -106.881
bonds (distance) P-C4' energy: -90.624
flat angles C4'-P-C4' energy: -84.807
flat angles P-C4'-P energy: -67.791
tors. eta vs tors. theta energy: -24.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -751.643877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.643877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.643877 (E_RNA)
where:
Base-Base interactions energy: -419.747
where: short stacking energy: -202.188
Base-Backbone interact. energy: -0.622
local terms energy: -331.273981
where:
bonds (distance) C4'-P energy: -83.301
bonds (distance) P-C4' energy: -93.011
flat angles C4'-P-C4' energy: -86.161
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2071.518086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.518086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.518086 (E_RNA)
where:
Base-Base interactions energy: -1429.729
where: short stacking energy: -591.709
Base-Backbone interact. energy: -4.834
local terms energy: -636.955113
where:
bonds (distance) C4'-P energy: -118.516
bonds (distance) P-C4' energy: -127.226
flat angles C4'-P-C4' energy: -147.198
flat angles P-C4'-P energy: -86.583
tors. eta vs tors. theta energy: -157.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1986.445935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.445935 (E_RNA)
where:
Base-Base interactions energy: -1374.755
where: short stacking energy: -576.898
Base-Backbone interact. energy: -3.077
local terms energy: -608.613857
where:
bonds (distance) C4'-P energy: -110.817
bonds (distance) P-C4' energy: -116.920
flat angles C4'-P-C4' energy: -130.732
flat angles P-C4'-P energy: -93.095
tors. eta vs tors. theta energy: -157.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1894.422339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.422339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.422339 (E_RNA)
where:
Base-Base interactions energy: -1255.437
where: short stacking energy: -531.866
Base-Backbone interact. energy: -2.945
local terms energy: -636.040451
where:
bonds (distance) C4'-P energy: -110.298
bonds (distance) P-C4' energy: -127.433
flat angles C4'-P-C4' energy: -153.957
flat angles P-C4'-P energy: -92.000
tors. eta vs tors. theta energy: -152.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1748.217322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.217322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.217322 (E_RNA)
where:
Base-Base interactions energy: -1181.369
where: short stacking energy: -509.524
Base-Backbone interact. energy: -5.123
local terms energy: -561.725613
where:
bonds (distance) C4'-P energy: -111.641
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -124.421
flat angles P-C4'-P energy: -83.455
tors. eta vs tors. theta energy: -133.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1660.326266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.326266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.326266 (E_RNA)
where:
Base-Base interactions energy: -1140.292
where: short stacking energy: -468.689
Base-Backbone interact. energy: -1.405
local terms energy: -518.629884
where:
bonds (distance) C4'-P energy: -86.773
bonds (distance) P-C4' energy: -101.960
flat angles C4'-P-C4' energy: -132.120
flat angles P-C4'-P energy: -79.153
tors. eta vs tors. theta energy: -118.624
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: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1315.552154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.552154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.552154 (E_RNA)
where:
Base-Base interactions energy: -818.555
where: short stacking energy: -377.710
Base-Backbone interact. energy: 0.126
local terms energy: -497.123790
where:
bonds (distance) C4'-P energy: -110.428
bonds (distance) P-C4' energy: -114.816
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -75.351
tors. eta vs tors. theta energy: -89.030
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: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1262.320722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.320722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.320722 (E_RNA)
where:
Base-Base interactions energy: -777.436
where: short stacking energy: -359.984
Base-Backbone interact. energy: -3.203
local terms energy: -481.681802
where:
bonds (distance) C4'-P energy: -101.340
bonds (distance) P-C4' energy: -125.411
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -64.656
tors. eta vs tors. theta energy: -70.721
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: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1003.645323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.645323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.645323 (E_RNA)
where:
Base-Base interactions energy: -605.320
where: short stacking energy: -312.538
Base-Backbone interact. energy: 1.947
local terms energy: -400.272702
where:
bonds (distance) C4'-P energy: -95.722
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -89.547
flat angles P-C4'-P energy: -58.316
tors. eta vs tors. theta energy: -47.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -830.402578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.402578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.402578 (E_RNA)
where:
Base-Base interactions energy: -455.107
where: short stacking energy: -225.360
Base-Backbone interact. energy: 0.914
local terms energy: -376.209198
where:
bonds (distance) C4'-P energy: -90.770
bonds (distance) P-C4' energy: -117.806
flat angles C4'-P-C4' energy: -86.403
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -18.571
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: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -754.384311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.384311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.384311 (E_RNA)
where:
Base-Base interactions energy: -414.823
where: short stacking energy: -198.713
Base-Backbone interact. energy: 3.870
local terms energy: -343.431687
where:
bonds (distance) C4'-P energy: -101.653
bonds (distance) P-C4' energy: -87.721
flat angles C4'-P-C4' energy: -74.175
flat angles P-C4'-P energy: -73.995
tors. eta vs tors. theta energy: -5.887
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: 9
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2069.402805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.402805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.402805 (E_RNA)
where:
Base-Base interactions energy: -1422.703
where: short stacking energy: -587.579
Base-Backbone interact. energy: 0.208
local terms energy: -646.908041
where:
bonds (distance) C4'-P energy: -124.495
bonds (distance) P-C4' energy: -129.341
flat angles C4'-P-C4' energy: -138.903
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -166.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1961.881134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.881134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.881134 (E_RNA)
where:
Base-Base interactions energy: -1309.388
where: short stacking energy: -598.727
Base-Backbone interact. energy: -2.768
local terms energy: -649.724871
where:
bonds (distance) C4'-P energy: -124.405
bonds (distance) P-C4' energy: -138.498
flat angles C4'-P-C4' energy: -118.663
flat angles P-C4'-P energy: -97.013
tors. eta vs tors. theta energy: -171.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1882.308907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.308907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.308907 (E_RNA)
where:
Base-Base interactions energy: -1287.033
where: short stacking energy: -562.859
Base-Backbone interact. energy: -3.123
local terms energy: -592.153304
where:
bonds (distance) C4'-P energy: -108.604
bonds (distance) P-C4' energy: -125.778
flat angles C4'-P-C4' energy: -128.178
flat angles P-C4'-P energy: -73.340
tors. eta vs tors. theta energy: -156.254
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: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1761.914507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.914507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.914507 (E_RNA)
where:
Base-Base interactions energy: -1168.135
where: short stacking energy: -502.585
Base-Backbone interact. energy: 2.353
local terms energy: -596.133202
where:
bonds (distance) C4'-P energy: -120.259
bonds (distance) P-C4' energy: -116.138
flat angles C4'-P-C4' energy: -131.380
flat angles P-C4'-P energy: -87.417
tors. eta vs tors. theta energy: -140.940
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1694.224495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.224495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.224495 (E_RNA)
where:
Base-Base interactions energy: -1157.023
where: short stacking energy: -495.498
Base-Backbone interact. energy: -2.818
local terms energy: -534.383300
where:
bonds (distance) C4'-P energy: -94.060
bonds (distance) P-C4' energy: -104.757
flat angles C4'-P-C4' energy: -119.868
flat angles P-C4'-P energy: -75.218
tors. eta vs tors. theta energy: -140.480
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: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1365.126678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.126678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.126678 (E_RNA)
where:
Base-Base interactions energy: -848.654
where: short stacking energy: -391.664
Base-Backbone interact. energy: 0.327
local terms energy: -516.799001
where:
bonds (distance) C4'-P energy: -124.404
bonds (distance) P-C4' energy: -121.583
flat angles C4'-P-C4' energy: -108.849
flat angles P-C4'-P energy: -68.967
tors. eta vs tors. theta energy: -92.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1270.262975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.262975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.262975 (E_RNA)
where:
Base-Base interactions energy: -818.299
where: short stacking energy: -363.185
Base-Backbone interact. energy: -0.526
local terms energy: -451.438230
where:
bonds (distance) C4'-P energy: -93.503
bonds (distance) P-C4' energy: -112.614
flat angles C4'-P-C4' energy: -109.614
flat angles P-C4'-P energy: -65.209
tors. eta vs tors. theta energy: -70.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1033.670375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.670375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.670375 (E_RNA)
where:
Base-Base interactions energy: -635.277
where: short stacking energy: -328.455
Base-Backbone interact. energy: -1.499
local terms energy: -396.894442
where:
bonds (distance) C4'-P energy: -88.925
bonds (distance) P-C4' energy: -99.032
flat angles C4'-P-C4' energy: -92.362
flat angles P-C4'-P energy: -62.766
tors. eta vs tors. theta energy: -53.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -840.672186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.672186 (E_RNA)
where:
Base-Base interactions energy: -468.895
where: short stacking energy: -249.264
Base-Backbone interact. energy: 0.751
local terms energy: -372.527291
where:
bonds (distance) C4'-P energy: -102.840
bonds (distance) P-C4' energy: -106.801
flat angles C4'-P-C4' energy: -90.544
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -758.061612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.061612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.061612 (E_RNA)
where:
Base-Base interactions energy: -436.714
where: short stacking energy: -202.022
Base-Backbone interact. energy: -3.975
local terms energy: -317.372573
where:
bonds (distance) C4'-P energy: -81.707
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -90.307
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -2.862
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 25326453
moves confirmed later: 28494068
all moves confirmed: 53820521
percent of confirmed moves: 33.637826
current total energy: -2001.640483
recalc. total energy: -2001.640483
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 27944652
moves confirmed later: 31603287
all moves confirmed: 59547939
percent of confirmed moves: 37.217462
current total energy: -1855.136982
recalc. total energy: -1855.136982
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 33276876
moves confirmed later: 38932666
all moves confirmed: 72209542
percent of confirmed moves: 45.130964
current total energy: -1753.245245
recalc. total energy: -1753.245245
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 24437218
moves confirmed later: 27117267
all moves confirmed: 51554485
percent of confirmed moves: 32.221553
current total energy: -1604.524622
recalc. total energy: -1604.524622
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 26789712
moves confirmed later: 30251325
all moves confirmed: 57041037
percent of confirmed moves: 35.650648
current total energy: -1548.998341
recalc. total energy: -1548.998341
replica 7 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 37287662
moves confirmed later: 44113955
all moves confirmed: 81401617
percent of confirmed moves: 50.876011
current total energy: -1128.897375
recalc. total energy: -1128.897375
replica 3 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 39954699
moves confirmed later: 47396077
all moves confirmed: 87350776
percent of confirmed moves: 54.594235
current total energy: -1147.707365
recalc. total energy: -1147.707365
replica 2 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 44598892
moves confirmed later: 53521418
all moves confirmed: 98120310
percent of confirmed moves: 61.325194
current total energy: -937.090752
recalc. total energy: -937.090752
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 29426036
moves confirmed later: 33681734
all moves confirmed: 63107770
percent of confirmed moves: 39.442356
current total energy: -686.325965
recalc. total energy: -686.325965
replica 5 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 43741553
moves confirmed later: 52345999
all moves confirmed: 96087552
percent of confirmed moves: 60.054720
current total energy: -648.958512
recalc. total energy: -648.958512
out arg RESULTS//1/Tetraloop_10_steps-4c09b64c_01
Time of doing 1600000 iterations: 7984.524 seconds